SCHEMBL963058

SCHEMBL963058

CCOC(=O)CCc1ccc(CCC(=O)OCC)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.56
CYP4A11 Q02928 3/20 0.56
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
GLA P06280 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
PTPN1 P18031 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14280336 0.95 CYP4F2 (0.51) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL11422123 0.91 CYP4F2 (0.51) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL31176838 0.90 CYP4F2 (0.47) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL11074649 0.89 CYP4F2 (0.46) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL15870705 0.88 CYP4F2 (0.50) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL6016206 0.87 CYP4F2 (0.47) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL31176757 0.86 CYP4F2 (0.44) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL31066042 0.85 CYP4F2 (0.46) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL6370230 0.85 CYP4F2 (0.46) CYP4F2CYP4A11LMNAMAPTCYP4Z1
SCHEMBL14280335 0.84 CYP4F2 (0.47) CYP4F2CYP4A11CYP4Z1ALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975099-B2 Thiophene compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2021-04-13 US disclosed
US-10975099-B2 Thiophene compounds for long-acting injectable compositions and related methods ALKERMES PHARMA IRELAND LIMITED (IE) 2021-04-13 US disclosed
US-20200325157-A1 Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-15 US disclosed
US-20200325157-A1 Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods ALKERMES PHARMA IRELAND LIMITED (IE) 2020-10-15 US disclosed
EP-3012254-B1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS THERAVANCE RESPIRATORY CO LLC (US) 2017-05-17 EP disclosed
EP-3012254-A1 BIPHENYL DERIVATIVE AND ITS USE FOR TREATING PULMONARY DISORDERS Theravance Respiratory Company, LLC (US) 2016-04-27 EP disclosed
EP-2246345-B1 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE RESPIRATORY CO LLC (US) 2016-02-10 EP disclosed
US-8969571-B2 Biphenyl derivatives THERAVANCE RESPIRATORY COMPANY, LLC (US) 2015-03-03 US disclosed
US-20140235864-A1 BIPHENYL DERIVATIVES THERAVANCE, INC. (US) 2014-08-21 US disclosed
US-8618131-B2 Biphenyl derivatives THERAVANCE, INC. (US) 2013-12-31 US disclosed
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE BIOPHARMA R&D IP, LLC 2005-05-26 US disclosed
WO-2004106333-A1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-12-09 WO disclosed
US-20040242622-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-02 US disclosed
WO-2004089892-A2 DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2004-10-21 WO disclosed
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity THERAVANCE RESPIRATORY COMPANY, LLC 2004-10-21 US disclosed
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140235864-A1 BIPHENYL DERIVATIVES ADRB1, ADRB2, ADRB3 CYP4F2 496/4885CYP4A11 142/4885LMNA 3024/4885
US-20200325157-A1 Novel Thiophene Compounds for Long-Acting Injectable Compositions and Related Methods OPRK1, OPRM1, OPRD1 CYP4F2 104/4885CYP4A11 284/4885LMNA 4854/4885
US-20040242622-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA1B CYP4F2 1006/4885CYP4A11 239/4885LMNA 4392/4885
US-20040209915-A1 substituted with an N- (p-hydroxy-alpha-hydroxybenzylaminoalkylpiperidinyloxy- (or -amino-)carbonylamino group; useful for identifying compounds having both beta 2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRB1, ADRB2, ADRA2B CYP4F2 1129/4885CYP4A11 422/4885LMNA 2674/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B CYP4F2 2668/4885CYP4A11 457/4885LMNA 4719/4885
US-20050113417-A1 Compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity ADRA2B, ADRB2, ADRB1 CYP4F2 841/4885CYP4A11 413/4885LMNA 1707/4885
US-10975099-B2 Thiophene compounds for long-acting injectable compositions and related methods OPRK1, OPRM1, OPRD1 CYP4F2 119/4885CYP4A11 249/4885LMNA 4800/4885
US-20040209860-A1 compounds having a (biphenyl-2-yl)oxycarbonylamino- or (biphenyl-2-yl)aminocarbonylamino-substituted (2-7C)azacycloalkyl or (5-10C)azabicycloalkyl group; and a 2-(4-hydroxyphenyl)-2-hydroxyethylamino group; treating asthma or chronic obstructive pulmonary disease; providing bronchodilation ADRA2C, ADRB2, AHR CYP4F2 506/4885CYP4A11 210/4885LMNA 3346/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.