SCHEMBL687067

SCHEMBL687067

COc1cccc(Cl)c1Cn1ccc2oc(=O)[nH]c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 2/20 0.38
ACP1 P24666 1/20 0.38
EPHX2 P34913 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER3 P43115 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
PDE4A P27815 1/20 0.35
PDE7A Q13946 1/20 0.35
CYP3A4 P08684 1/20 0.35
GRM5 P41594 1/20 0.35
PSMB8 P28062 1/20 0.35
GNRHR P30968 1/20 0.35

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
SCHEMBL687598 0.92 GRM5 (0.41) LMNAKDM4EALDH1A1HPGDEPHX2
SCHEMBL688138 0.89 LMNA (0.39) LMNAKDM4EALDH1A1HPGDPKM
SCHEMBL688136 0.88 NPSR1 (0.46) LMNAKDM4EALDH1A1HPGDPKM
SCHEMBL686814 0.83 LMNA (0.55) LMNAKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL687698 0.81 LMNA (0.51) LMNAALDH1A1PTGER3
SCHEMBL686790 0.81 LMNA (0.42) LMNAKDM4EALDH1A1HPGDPKM
SCHEMBL687633 0.80 ALDH1A1 (0.42) LMNAKDM4EALDH1A1HPGDPKM
SCHEMBL688274 0.78 PKM (0.39) PKMACP1EPHX2POLBGRM5
SCHEMBL688182 0.78 DBH (0.44) LMNAKDM4EALDH1A1PTGER3POLB
SCHEMBL688209 0.78 GLRA3 (0.39) LMNAALDH1A1NPSR1CYP1A2

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 1820/4885KDM4E 2631/4885ALDH1A1 53/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885KDM4E 3292/4885ALDH1A1 57/4885

“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.