SCHEMBL686790

SCHEMBL686790

COc1cccc(Cl)c1Cn1cc(C)c2oc(=O)[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
ACP1 P24666 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE7A Q13946 3/20 0.37
PDE4A P27815 1/20 0.37
GNRHR P30968 1/20 0.36
NQO2 P16083 1/20 0.36
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX7 Q99572 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PARP14 Q460N5 1/20 0.34
NPBWR1 P48145 1/20 0.34
ALOX12 P18054 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
SCHEMBL30155021 0.90 PKM (0.37) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL687630 0.90 PKM (0.42) PKMKDM4EALDH1A1ACP1CYP3A4
SCHEMBL687609 0.89 P2RX7 (0.36) LMNAPKMKDM4EALDH1A1CYP3A4
SCHEMBL687662 0.89 KDM4E (0.39) LMNAPKMKDM4EALDH1A1ACP1
SCHEMBL30155068 0.89 KDM4E (0.39) LMNAPKMKDM4EALDH1A1ACP1
SCHEMBL687549 0.88 ALDH1A1 (0.37) LMNAPKMKDM4EALDH1A1ACP1
SCHEMBL687652 0.88 PKM (0.43) PKMKDM4EALDH1A1ACP1CYP3A4
SCHEMBL686925 0.87 LMNA (0.42) LMNAPKMCYP3A4PDE7APDE4A
SCHEMBL687391 0.87 LMNA (0.41) LMNAPKMKDM4EALDH1A1ACP1
SCHEMBL687181 0.87 PKM (0.34) LMNAPKMKDM4EALDH1A1ACP1

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 1820/4885PKM 3429/4885KDM4E 2631/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 LMNA 2248/4885PKM 3321/4885KDM4E 3292/4885

“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.