SCHEMBL7122686

SCHEMBL7122686

Cc1cc(NC(=O)Cc2cc(C#N)ccc2OCc2ccccc2)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.44
LMNA P02545 2/20 0.43
CYP19A1 P11511 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
ANO1 Q5XXA6 2/20 0.41
PPIA P62937 1/20 0.41
RORC P51449 2/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
LTA4H P09960 1/20 0.40
MET P08581 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTGER1 P34995 1/20 0.39
LRRK2 Q5S007 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL7127088 0.89 MRGPRX4 (0.49) P2RX4LMNACYP19A1MRGPRX4PPIA
SCHEMBL5099764 0.83 MET (0.46) P2RX4LMNACYP19A1MRGPRX4PPIA
SCHEMBL7121896 0.81 SGMS2 (0.46) CYP19A1MRGPRX4PPIAPTGER1LRRK2
SCHEMBL7120699 0.81 MET (0.38) P2RX4CYP19A1RORCMETCYP2C9
SCHEMBL5089227 0.79 RORC (0.45) P2RX4LMNACYP19A1MRGPRX4ANO1
SCHEMBL7121876 0.79 ALDH1A1 (0.49) P2RX4LMNACYP19A1
SCHEMBL7117549 0.78 SPHK1 (0.47) P2RX4LMNACYP19A1MRGPRX4MET
SCHEMBL6937058 0.78 LMNA (0.39) P2RX4LMNAMRGPRX4PPIARORC
SCHEMBL7561577 0.77 CYP19A1 (0.42) P2RX4LMNACYP19A1MRGPRX4PPIA
SCHEMBL7076172 0.77 MEN1 (0.45) P2RX4LMNACYP19A1MRGPRX4PPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO 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 (1 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-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 P2RX4 2133/4885LMNA 1147/4885CYP19A1 1130/4885

“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.