SCHEMBL687175

SCHEMBL687175

O=c1[nH]c2c(=O)n(Cc3ccccc3OC(F)F)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MCL1 Q07820 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
KCNH2 Q12809 3/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP2D6 P10635 1/20 0.34
EPHX2 P34913 3/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL687698 0.86 LMNA (0.51) USP2LMNAALDH1A1MEN1KMT2A
SCHEMBL688061 0.85 HTR2C (0.39) LMNAP2RX7ALDH1A1SLC6A2SLC6A4
SCHEMBL688408 0.82 THRB (0.47) HPGDSMN1; SMN2LMNAALDH1A1MCL1
SCHEMBL686785 0.79 HDAC3 (0.41) HPGDTSHRALDH1A1MCL1CYP2D6
SCHEMBL687826 0.79 POLB (0.49) HPGDTSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL687519 0.79 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL687704 0.79 ADORA2A (0.38) NPSR1ALDH1A1MCL1EPHX2KMT2A
SCHEMBL687397 0.76 MCL1 (0.36) LMNAP2RX7ALDH1A1MCL1EPHX2
SCHEMBL688176 0.76 CYP19A1 (0.42) HPGDTSHRSMN1; SMN2NPSR1LMNA
SCHEMBL688361 0.76 MAPK14 (0.43) HPGDSMN1; SMN2LMNAALDH1A1MCL1

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 TNF 166/4885USP2 4140/4885HPGD 1322/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 TNF 160/4885USP2 4036/4885HPGD 1063/4885

“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.