SCHEMBL687594

SCHEMBL687594

Cc1cn(Cc2c(Cl)cccc2OCC(F)(F)F)c(=O)c2[nH]c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
PMM2 O15305 1/20 0.37
MPI P34949 1/20 0.37
PHOSPHO1 Q8TCT1 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.34
GNRHR P30968 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 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
SCHEMBL30155068 0.88 KDM4E (0.39) P2RX7CYP3A4CYP2C9CYP2C19PKM
SCHEMBL687662 0.88 KDM4E (0.39) P2RX7CYP3A4CYP2C9CYP2C19PKM
SCHEMBL30155021 0.87 PKM (0.37) P2RX7CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL687549 0.86 ALDH1A1 (0.37) CYP3A4CYP2C9CYP2C19PKMLMNA
SCHEMBL686790 0.86 LMNA (0.42) P2RX7CYP3A4CYP2C9CYP2C19PKM
SCHEMBL687181 0.85 PKM (0.34) CYP3A4CYP2C9CYP2C19PKMLMNA
SCHEMBL687972 0.85 MAPK14 (0.42) P2RX7LMNAMEN1KMT2AALDH1A1
SCHEMBL687630 0.84 PKM (0.42) P2RX7CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL687609 0.84 P2RX7 (0.36) P2RX7CYP3A4CYP2C9CYP2C19PKM
SCHEMBL687652 0.82 PKM (0.43) P2RX7CYP3A4CYP2C9CYP2C19CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1731/4885CYP3A4 1694/4885CYP2C9 1934/4885
US-20040063955-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, FN1 P2RX7 2582/4885CYP3A4 2379/4885CYP2C9 2672/4885

“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.