SCHEMBL3765157

SCHEMBL3765157

O=C(O)Cc1ccccc1Sc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.78
CYP2C9 P11712 2/20 0.78
CYP2C19 P33261 2/20 0.78
MMP2 P08253 2/20 0.66
MMP9 P14780 2/20 0.66
MMP12 P39900 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
AKR1B1 P15121 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
SIRT1 Q96EB6 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRNA7 P36544 2/20 0.49
MMP14 P50281 1/20 0.47
CYP2D6 P10635 1/20 0.47
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL4438683 0.90 CYP2C9 (0.69) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL6933325 0.90 CYP2C9 (0.74) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL8228112 0.90 MMP2 (0.76) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL4734978 0.88 CYP2C9 (0.72) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL8229735 0.88 CYP2C9 (0.72) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL27971821 0.88 CYP2C9 (0.72) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL10049356 0.88 CYP2C9 (0.72) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL3640100 0.88 CYP2C9 (0.72) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL8230531 0.85 CYP2C9 (0.68) HPGDCYP2C9CYP2C19MMP2MMP9
SCHEMBL8363035 0.85 MMP2 (0.71) HPGDCYP2C9CYP2C19MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511729-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-04-16 US claimed
US-4502998-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US claimed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor GLAXO GROUP LIMITED 2010-12-09 US disclosed
WO-2009016085-A1 SPIRO COMPOUNDS USEFUL AS ANTAGONISTS OF THE H1 RECEPTOR GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed
EP-0910563-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-28 EP disclosed
EP-0910563-A4 1999-04-28 EP disclosed
WO-1997001540-A1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-01-16 WO disclosed
US-4157399-A Benzo(B)thiophenes PARCOR (FR) 1979-06-05 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 (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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HPGD 1825/4885CYP2C9 4299/4885CYP2C19 4445/4885
US-20100311734-A1 Spiro Compounds Useful as Antagonists of the H1 Receptor HCRTR1, HCRTR2, HRH3 HPGD 570/4885CYP2C9 1359/4885CYP2C19 730/4885

“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.