SCHEMBL687570

SCHEMBL687570

Cc1ccc(F)cc1Cn1cc(C)c2oc(=O)[nH]c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.32
ROCK2 O75116 1/20 0.32
CYP3A4 P08684 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PRNP P04156 1/20 0.31
DPP4 P27487 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
SCHEMBL687137 0.90 ADORA2B (0.38) P2RX7MEN1KMT2AMAPK1TP53
SCHEMBL687558 0.81 HSP90AA1 (0.39) TSHRMEN1KMT2AMAPK1CYP1A2
SCHEMBL687759 0.78 PKM (0.42) MEN1KMT2A
SCHEMBL687951 0.77 MEN1 (0.44) P2RX7TSHRMEN1KMT2AMAPK1
SCHEMBL687901 0.77 MAPK1 (0.44) P2RX7MEN1KMT2AMAPK1ALDH1A1
SCHEMBL686925 0.76 LMNA (0.42) P2RX7CYP3A4
SCHEMBL687818 0.76 TP53 (0.47) HPGDTP53
SCHEMBL688433 0.75 TRAP1 (0.43) P2RX7TP53CYP3A4ALDH1A1CYP1A2
SCHEMBL687150 0.74 TRPC5 (0.43) MEN1KMT2AHPGDTP53CYP3A4
SCHEMBL20546461 0.74 SMN1; SMN2 (0.31) MAPK1HPGDSMN1; SMN2

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 P2RX7 1731/4885TSHR 2142/4885MEN1 3955/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 P2RX7 2582/4885TSHR 2293/4885MEN1 3985/4885

“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.