SCHEMBL2440973

SCHEMBL2440973

CS(=O)(=O)c1ccc(-c2cc[c]cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
PTGS2 P35354 5/20 0.41
GPR119 Q8TDV5 2/20 0.41
KCNH2 Q12809 3/20 0.37
CTSC P53634 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MCHR1 Q99705 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
ENPP2 Q13822 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PTGS1 P23219 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
SCHEMBL13589551 0.84 RORC (0.53) RORCPTGS2PTGS1
SCHEMBL19187290 0.82 PTGS2 (0.55) RORCPTGS2PTGS1
SCHEMBL14378767 0.82 PTGS2 (0.48) RORCPTGS2PIM1PIM2PTGS1
SCHEMBL903972 0.81 ENPP2 (0.57) RORCPTGS2GPR119KCNH2ENPP2
SCHEMBL6240103 0.77 PTGS2 (0.54) PTGS2KCNH2PTGS1
SCHEMBL15515728 0.77 NPC1 (0.57) RORCGPR119MCHR1
SCHEMBL746134 0.77 PTGS2 (0.50) PTGS2ENPP2PTGS1
SCHEMBL3889349 0.76 PTGS2 (0.49) RORCPTGS2KCNH2PTGDR2JAK2
SCHEMBL28004656 0.76 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL28797115 0.74 PTGS2 (0.40) RORCPTGS2KCNH2PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 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 (3 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ RORC 4777/4885PTGS2 2557/4885GPR119 2057/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ RORC 4622/4885PTGS2 2602/4885GPR119 3031/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ RORC 4622/4885PTGS2 2602/4885GPR119 3031/4885

“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.