SCHEMBL6937053

SCHEMBL6937053

Cc1nn(-c2ccc(C(=O)NCc3cc(C#N)ccc3OCc3ccccc3)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
PPARG P37231 1/20 0.42
MRGPRX4 Q96LA9 4/20 0.41
PTGER1 P34995 3/20 0.39
AR P10275 2/20 0.39
PDCD1 Q15116 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
EPHX2 P34913 2/20 0.36
SLC6A9 P48067 1/20 0.35

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
SCHEMBL6939294 0.92 PPARG (0.41) PPARDPPARGMRGPRX4PTGER1AR
SCHEMBL6939517 0.89 PPARG (0.38) PPARDPPARGMRGPRX4PTGER1AR
SCHEMBL7561553 0.77 PPARD (0.38) PPARDPPARGMRGPRX4PTGER1EPHX2
SCHEMBL7187595 0.74 CRHR1 (0.41) AR
SCHEMBL6554549 0.73 SLC6A9 (0.46) PPARDPPARGMRGPRX4PTGER1SLC6A9
SCHEMBL6554509 0.73 EPHX2 (0.46) PPARDPPARGMRGPRX4EPHX2
Hydrochloric Acid SCHEMBL6554810 0.73 SLC6A9 (0.45) PPARDPPARGMRGPRX4PTGER1SLC6A9
SCHEMBL5103863 0.72 TTR (0.43) AR
SCHEMBL6936342 0.71 GABRA1 (0.38) MRGPRX4PTGER1
SCHEMBL6555857 0.71 SLC6A9 (0.43) PPARDPPARGMRGPRX4PTGER1PDCD1

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-1370540-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-17 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
WO-2002072558-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 PPARD 637/4885PPARG 493/4885MRGPRX4 2438/4885

“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.