SCHEMBL9939816

SCHEMBL9939816

O=C(NCc1ccc(Cl)c(Nc2nc3cc(Cl)c(N4CCCC(C(F)(F)F)C4)cc3[nH]2)c1)C1(C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 18/20 0.42
TBK1 Q9UHD2 1/20 0.34
P2RX7 Q99572 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
SCHEMBL9939986 0.93 PTGES (0.41) PTGESTBK1
SCHEMBL9939818 0.91 PTGES (0.44) PTGES
SCHEMBL9939992 0.91 PTGES (0.37) PTGES
SCHEMBL9939998 0.87 PTGES (0.40) PTGESTBK1P2RX7
SCHEMBL9939882 0.86 PTGES (0.43) PTGES
SCHEMBL14119839 0.86 PTGES (0.43) PTGES
SCHEMBL14120182 0.86 PTGES (0.39) PTGES
SCHEMBL9939985 0.85 PTGES (0.45) PTGES
SCHEMBL9939886 0.85 PTGES (0.44) PTGESTBK1
SCHEMBL9939891 0.84 PTGES (0.58) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES PTGES 3/4885TBK1 2937/4885P2RX7 157/4885

“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.