SCHEMBL2011642

SCHEMBL2011642

COC(=O)CSc1ccc(C(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 8/20 0.51
GAA P10253 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GLA P06280 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL7667895 0.86 MAPT (0.51) HPGDLMNAL3MBTL1MAPTGAA
SCHEMBL15426812 0.83 MAPT (0.55) HPGDLMNAL3MBTL1MAPTGAA
SCHEMBL6239095 0.81 MAPT (0.54) HPGDLMNAL3MBTL1MAPTGAA
SCHEMBL2011261 0.81 GSK3B (0.53) HPGDLMNAMAPTGAAKDM4E
SCHEMBL2009625 0.81 MAPT (0.48) HPGDLMNAMAPTGAAKDM4E
SCHEMBL17364450 0.81 MAPT (0.50) HPGDLMNAL3MBTL1MAPTGAA
SCHEMBL8022967 0.80 APEX1 (0.51) HPGDLMNAL3MBTL1MAPTGAA
SCHEMBL15549840 0.80 HSD17B10 (0.57) HPGDL3MBTL1MAPTGAAKDM4E
SCHEMBL874798 0.80 MAPT (0.53) HPGDLMNAMAPTGAAKDM4E
SCHEMBL3112575 0.80 MAPT (0.53) HPGDLMNAL3MBTL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964628-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-06-21 US disclosed
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-07 US disclosed
US-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 US disclosed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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 (4 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HPGD 532/4885LMNA 2800/4885L3MBTL1 4867/4885
US-20100256161-A1 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE FGB, F13B, F2 HPGD 1551/4885LMNA 2984/4885L3MBTL1 4640/4885
US-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 HPGD 1551/4885LMNA 2984/4885L3MBTL1 4640/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB HPGD 520/4885LMNA 2550/4885L3MBTL1 4876/4885

“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.