SCHEMBL687666

SCHEMBL687666

CCOc1cccc(Cl)c1Cn1c(C)cc2oc(=O)[nH]c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 5/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
DAO P14920 1/20 0.34
POLB P06746 1/20 0.34
PABPC1 P11940 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2A6 P11509 1/20 0.34
GRK6 P43250 1/20 0.34

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
SCHEMBL687695 0.82 MEN1 (0.36) HPGDTSHRLMNAL3MBTL1ALDH1A1
SCHEMBL688138 0.81 LMNA (0.39) HPGDLMNAALDH1A1KDM4ENPSR1
SCHEMBL687163 0.81 MEN1 (0.38) HPGDTSHRLMNAL3MBTL1ALDH1A1
SCHEMBL686724 0.78 ALDH1A1 (0.46) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL686916 0.77 KDM4E (0.36) HPGDL3MBTL1ALDH1A1KDM4ECYP1A2
SCHEMBL30155068 0.76 KDM4E (0.39) HPGDLMNAALDH1A1KDM4ECYP2C19
SCHEMBL687662 0.76 KDM4E (0.39) HPGDLMNAALDH1A1KDM4ECYP2C19
SCHEMBL687583 0.75 ALDH1A1 (0.46) HPGDLMNAALDH1A1KDM4ECYP3A4
SCHEMBL687703 0.75 KMT2A (0.41) HPGDLMNAL3MBTL1ALDH1A1KDM4E
SCHEMBL688221 0.73 ALDH1A1 (0.36) HPGDLMNAALDH1A1KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US claimed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP claimed
EP-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 US disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 US disclosed
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. 2004-04-01 US disclosed
EP-1203766-A2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-05-08 EP 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-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 HPGD 1322/4885TSHR 2142/4885LMNA 1820/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 HPGD 1063/4885TSHR 2293/4885LMNA 2248/4885

“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.