SCHEMBL17008368

SCHEMBL17008368

O=C(O)C1CCCCC1c1nn(-c2cncc(Cl)c2)cc1-c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.55
TGFBR1 P36897 1/20 0.37
ACVR1 Q04771 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALOX5AP P20292 6/20 0.35
CHEK1 O14757 1/20 0.34
FAAH O00519 1/20 0.33
PTGES O14684 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL18279711 1.00 CTSK (0.55) CTSKTGFBR1ACVR1KDM4EALOX5AP
SCHEMBL17008365 0.93 CTSK (0.48) CTSKALOX5APCHEK1PTGESPTGS2
SCHEMBL18279713 0.91 CTSK (0.56) CTSKTGFBR1ACVR1ALOX5APFAAH
SCHEMBL17020266 0.86 CTSK (0.78) CTSK
SCHEMBL18279760 0.81 CTSK (0.75) CTSKTGFBR1ACVR1FAAH
SCHEMBL18279742 0.81 CTSK (0.75) CTSKTGFBR1ACVR1FAAH
SCHEMBL17008332 0.80 CTSK (0.56) CTSKTGFBR1ACVR1KDM4EALOX5AP
SCHEMBL18279739 0.80 CTSK (0.56) CTSKTGFBR1ACVR1KDM4EALOX5AP
SCHEMBL18279734 0.80 CTSK (0.69) CTSK
SCHEMBL17020275 0.77 CTSK (0.84) CTSK

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-3104705-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-9656990-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-23 US disclosed
US-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 US disclosed
WO-2015120580-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-08-20 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-20160355502-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ CTSK 4/4885TGFBR1 2595/4885ACVR1 3471/4885

“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.