SCHEMBL5115945

SCHEMBL5115945

CCCC(=O)N1CCCC(CO)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
EPHX2 P34913 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNB3 Q05901 1/20 0.45
CHRNA6 Q15825 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LIPE Q05469 1/20 0.43
ALDH1A1 P00352 2/20 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
SCHEMBL11892691 0.90 CHRNB2 (0.47) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL11892760 0.90 CHRNB2 (0.47) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL30484014 0.90 CHRNB2 (0.47) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL5139625 0.89 MEN1 (0.61) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL10614373 0.88 MEN1 (0.60) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL5135693 0.86 EPHX2 (0.48) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL5106557 0.85 MEN1 (0.53) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL24773037 0.84 POLB (0.41) POLBMEN1KMT2AMAPTCHRM2
SCHEMBL30720653 0.84 POLB (0.51) POLBMEN1KMT2AMAPTCHRNB2
SCHEMBL26732865 0.84 CHRM2 (0.48) POLBMEN1KMT2AMAPTCHRM2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880031-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2020-06-17 EP disclosed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 US disclosed
EP-1784182-A1 2-SULFANYL-BENZIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-05-16 EP disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO 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 (2 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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 POLB 1557/4885MEN1 2088/4885KMT2A 1561/4885
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 POLB 4834/4885MEN1 4731/4885KMT2A 3454/4885

“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.