SCHEMBL3021858

SCHEMBL3021858

NC(=O)[CH]CNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.57
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 4/20 0.49
CA7 P43166 1/20 0.48
HPGD P15428 1/20 0.48
TRPV1 Q8NER1 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL3017826 0.79 POLB (0.50) EPHX2KMT2APOLBCA12CA1
SCHEMBL5389136 0.79 POLB (0.50) EPHX2KMT2APOLBCA12CA1
SCHEMBL23419003 0.79 EPHX2 (0.56) EPHX2KMT2APOLBMAPTHPGD
SCHEMBL9780251 0.78 EPHX2 (0.56) EPHX2KMT2APOLBCA12CA1
SCHEMBL169453 0.77 EPHX2 (0.73) EPHX2KMT2AMAPTHPGDTRPV1
Hydrochloric Acid SCHEMBL30367847 0.76 EPHX2 (0.71) EPHX2KMT2AMAPTHPGDTRPV1
SCHEMBL31497254 0.76 MAPT (0.51) EPHX2KMT2APOLBCA12CA1
SCHEMBL28519915 0.75 EPHX2 (0.65) EPHX2KMT2APOLBMAPTHPGD
SCHEMBL12696684 0.75 EPHX2 (0.51) EPHX2KMT2APOLBCA12CA1
SCHEMBL1797885 0.74 POLB (0.66) EPHX2KMT2APOLBCA12CA1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed
US-7314872-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-01-01 US claimed
US-7307095-B2 Osteoporosis; antiarthritic agents; antidiabetic agents; antiinflammatory agents; Alzheimer's disease; shock; central nervous stsrem disorders; anticancer agents; multiple sclerosis, (S)-2-(Benzooxazol-2-ylamino)-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydro-indol-1-yl)-ethyl]-propionamide IRM LLC (BM) 2007-12-11 US claimed
EP-1658267-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-08-01 EP claimed
US-20070123523-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2007-05-31 US claimed
JP-2007502836-A 2007-02-15 JP claimed
US-7173051-B2 Inhibitors of cathepsin S IRM, LLC (BM) 2007-02-06 US claimed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP claimed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US claimed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO claimed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US claimed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO claimed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
EP-1658267-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2006-05-24 EP disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 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-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX2 2128/4885KMT2A 4282/4885POLB 3373/4885
US-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ EPHX2 2128/4885KMT2A 4282/4885POLB 3373/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ EPHX2 2128/4885KMT2A 4282/4885POLB 3373/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV EPHX2 2952/4885KMT2A 3334/4885POLB 3556/4885
US-20070123523-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX2 2128/4885KMT2A 4282/4885POLB 3373/4885

“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.