Sugi Predict

Sugi Predict / Compounds / SCHEMBL1995274

SCHEMBL1995274

SCHEMBL1995274

O=C(O)[C@@H](C1=CCCC1)c1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.38
▸ TBXAS1 P24557 1/20 0.37
▸ GABRA1 P14867 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ ACMSD Q8TDX5 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP2C19 P33261 3/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HMGB1 P09429 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2860802 0.79 HDAC4 (0.38) TBXAS1ACMSDNPSR1
SCHEMBL3360155 0.77 GABRA1 (0.50) HPGDGABRA1GABRB2TSHRCYP3A4
SCHEMBL10362582 0.76 NPSR1 (0.50) NPSR1MEN1GAAKMT2APOLB
SCHEMBL10416883 0.73 GABRA1 (0.39) HPGDGABRA1GABRB2ACMSDNPSR1
SCHEMBL11363822 0.72 MEN1 (0.50) HPGDGABRA1GABRB2TSHRMEN1
Ethylene SCHEMBL11785588 0.72 GABRA1 (0.45) HPGDGABRA1GABRB2TSHRCYP3A4
Ethylenediamine SCHEMBL544736 0.69 TSHR (0.42) HPGDGABRA1GABRB2TSHRKDM4E
SCHEMBL2792375 0.68 GABRA1 (0.45) HPGDGABRA1GABRB2TSHRCYP2C19
Ethylenediamine SCHEMBL5159417 0.68 TSHR (0.41) HPGDGABRA1GABRB2TSHRKDM4E
SCHEMBL23430236 0.68 HDAC4 (0.38) TBXAS1ACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785633-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-07-22 — — US disclosed
US-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2013-10-10 — — US disclosed
US-8450362-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-05-28 — — US disclosed
US-8338424-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-12-25 — — US disclosed
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-11-01 — — US disclosed
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2012-08-30 — — US disclosed
US-8242138-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-08-14 — — US disclosed
US-8198304-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2012-06-12 — — US disclosed
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-29 — — US disclosed
US-20110294851-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-12-01 — — US disclosed
EP-2197841-B1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2011-11-02 — — EP disclosed
US-8039489-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-10-18 — — US disclosed
US-8017617-B2 Amidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-09-13 — — US disclosed
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-08-18 — — US disclosed
US-7960385-B2 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2011-06-14 — — US disclosed
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-07-02 — — US disclosed
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2009-03-12 — — 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-20130267706-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2317/4885TBXAS1 759/4885GABRA1 1073/4885
US-20110294851-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2691/4885TBXAS1 556/4885GABRA1 825/4885
US-20110201583-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2317/4885TBXAS1 759/4885GABRA1 1073/4885
US-20090170870-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2691/4885TBXAS1 556/4885GABRA1 825/4885
US-20120277250-A1 AMIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2691/4885TBXAS1 556/4885GABRA1 825/4885
US-20110319448-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2317/4885TBXAS1 759/4885GABRA1 1073/4885
US-20120219509-A1 GUANIDINE-CONTAINING COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM1 HPGD 2317/4885TBXAS1 759/4885GABRA1 1073/4885
US-20090069335-A1 Guanidine-containing compounds useful as muscarinic receptor antagonists CHRM3, CHRM5, CHRM1 HPGD 2317/4885TBXAS1 759/4885GABRA1 1073/4885

“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.