SCHEMBL671308

SCHEMBL671308

O=C(NCc1ccc(Cl)c(N=C=S)c1Cl)C1(C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.36
PTGES O14684 2/20 0.35
RORC P51449 1/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
DGAT1 O75907 1/20 0.32
TRPA1 O75762 1/20 0.32
METAP2 P50579 2/20 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
SCHEMBL9898822 0.79 EPHX2 (0.37) P2RX7PTGESEPHX2NR1H4
SCHEMBL671339 0.79 DGAT1 (0.40) P2RX7PTGESRORCEPHX2NR1H4
SCHEMBL671291 0.79 PTGES (0.42) P2RX7PTGESTRPA1METAP2
SCHEMBL9899593 0.77 PTGES (0.36) PTGESEPHX2NR1H4
SCHEMBL9899188 0.76 HDAC6 (0.38) PTGESEPHX2NR1H4
SCHEMBL10091430 0.76 P2RX7 (0.36) P2RX7PTGESRORCEPHX2NR1H4
SCHEMBL670934 0.74 IDO1 (0.39) PTGES
SCHEMBL9905721 0.72 METAP2 (0.36) P2RX7PTGESRORCMETAP2
SCHEMBL1727329 0.70 PTGES (0.44) P2RX7PTGESEPHX2DGAT1TRPA1
SCHEMBL1725947 0.70 PTGES (0.41) P2RX7PTGESEPHX2DGAT1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606036-B1 2-ANILINOBENZIMIDAZOLE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8759537-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8586604-B2 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
EP-2606036-A1 NEW COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
EP-2606046-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20120214786-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
US-20120208839-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2012022792-A1 2-(ARYLAMINO)-3H-IMIDAZO[4,5-B]PYRIDINE-6-CARBOXAMIDE DERIVATIVES AND THEIR USE AS MPGES-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (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-20120214786-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES P2RX7 123/4885PTGES 3/4885RORC 805/4885
US-20120208839-A1 NEW COMPOUNDS PTGER1, PTGS1, PTGES P2RX7 170/4885PTGES 3/4885RORC 891/4885

“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.