SCHEMBL3098057

SCHEMBL3098057

Cn1c(Nc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)NCC3CC3)ccc21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.70
KCNH2 Q12809 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
RORC P51449 6/20 0.39
PPARG P37231 1/20 0.39
P2RX3 P56373 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
SCHEMBL3093257 0.97 PTGES (0.67) PTGESKCNH2CACNA1IRORCPPARG
SCHEMBL1727054 0.90 PTGES (0.60) PTGESRORCPPARG
SCHEMBL11895207 0.89 PTGES (0.59) PTGES
SCHEMBL3101014 0.89 PTGES (0.57) PTGESRORCPPARG
SCHEMBL1725831 0.88 PTGES (0.61) PTGESKCNH2RORC
SCHEMBL3108605 0.88 PTGES (0.56) PTGES
SCHEMBL11895277 0.87 PTGES (0.57) PTGESRORCPPARG
SCHEMBL3111197 0.87 PTGES (0.54) PTGESKCNH2CACNA1IPPARG
SCHEMBL3103828 0.86 PTGES (0.56) PTGES
SCHEMBL3100803 0.86 PTGES (0.54) PTGESKCNH2CACNA1IPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2022-07-14 US disclosed
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2019-02-07 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US 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 (5 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885KCNH2 415/4885CACNA1I 1197/4885
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885KCNH2 1724/4885CACNA1I 788/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885KCNH2 1724/4885CACNA1I 788/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885KCNH2 415/4885CACNA1I 1197/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885KCNH2 415/4885CACNA1I 1197/4885

“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.