SCHEMBL688138

SCHEMBL688138

CCOc1cccc(Cl)c1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.38
PKM P14618 2/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK14 Q16539 1/20 0.36
EPHX2 P34913 3/20 0.36
DAO P14920 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP2A6 P11509 1/20 0.35
POLB P06746 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ACP1 P24666 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL687067 0.89 LMNA (0.47) LMNAHPGDPKMALDH1A1KDM4E
SCHEMBL688136 0.86 NPSR1 (0.46) LMNAHPGDPKMALDH1A1KDM4E
SCHEMBL30155068 0.82 KDM4E (0.39) LMNAHPGDPKMALDH1A1KDM4E
SCHEMBL687662 0.82 KDM4E (0.39) LMNAHPGDPKMALDH1A1KDM4E
SCHEMBL688221 0.81 ALDH1A1 (0.36) LMNAHPGDPKMALDH1A1KDM4E
SCHEMBL687666 0.81 HPGD (0.39) LMNAHPGDALDH1A1KDM4EEPHX2
SCHEMBL686814 0.81 LMNA (0.55) LMNAPKMALDH1A1KDM4ESMN1; SMN2
SCHEMBL687598 0.81 GRM5 (0.41) LMNAHPGDALDH1A1KDM4EEPHX2
SCHEMBL687081 0.79 ALDH1A1 (0.34) LMNAHPGDPKMALDH1A1KDM4E
SCHEMBL687633 0.78 ALDH1A1 (0.42) LMNAHPGDPKMALDH1A1KDM4E

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 LMNA 1820/4885HPGD 1322/4885PKM 3429/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885HPGD 1063/4885PKM 3321/4885

“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.