SCHEMBL687549

SCHEMBL687549

CCCOc1cccc(Cl)c1Cn1cc(C)c2oc(=O)[nH]c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.34
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACP1 P24666 3/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL30155068 0.92 KDM4E (0.39) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL687662 0.92 KDM4E (0.39) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL686790 0.88 LMNA (0.42) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL687181 0.87 PKM (0.34) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL30155021 0.87 PKM (0.37) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL687972 0.86 MAPK14 (0.42) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL687594 0.86 P2RX7 (0.38) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL687630 0.86 PKM (0.42) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL687609 0.86 P2RX7 (0.36) ALDH1A1KDM4EPKMCYP3A4CYP2C9
SCHEMBL687652 0.84 PKM (0.43) ALDH1A1KDM4EPKMCYP3A4CYP2C9

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 ALDH1A1 53/4885KDM4E 2631/4885PKM 3429/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 ALDH1A1 57/4885KDM4E 3292/4885PKM 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.