SCHEMBL687962

SCHEMBL687962

Cc1cn(Cc2c(Cl)cccc2OCC2CCCC2)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.39
HPGD P15428 4/20 0.35
DCPS Q96C86 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DRD2 P14416 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR2B P41595 1/20 0.33
PKM P14618 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL687662 0.86 KDM4E (0.39) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL30155068 0.86 KDM4E (0.39) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL687549 0.84 ALDH1A1 (0.37) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL686790 0.83 LMNA (0.42) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL687181 0.83 PKM (0.34) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL30155021 0.83 PKM (0.37) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL687594 0.82 P2RX7 (0.38) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL687972 0.82 MAPK14 (0.42) HPGDALDH1A1
SCHEMBL687630 0.82 PKM (0.42) HPGDKDM4EALDH1A1NPSR1PKM
SCHEMBL687609 0.82 P2RX7 (0.36) HPGDKDM4EALDH1A1NPSR1PKM

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 BRD4 2449/4885HPGD 1322/4885DCPS 3357/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 BRD4 2568/4885HPGD 1063/4885DCPS 3666/4885

“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.