SCHEMBL6184185

SCHEMBL6184185

CC(C)C[C@H](NC(=O)c1cccnc1)C(=O)CC#N

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 11/20 0.53
▸ CTSB P07858 4/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 2/20 0.53
▸ LMNA P02545 1/20 0.48
▸ CTSV O60911 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ ADAM17 P78536 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2228194 0.82 LMNA (0.57) CTSLCTSBCTSSCTSKLMNA
SCHEMBL9828179 0.82 LMNA (0.57) CTSLCTSBCTSSCTSKLMNA
SCHEMBL2227252 0.80 TAS1R3 (0.61) LMNASCN9A
SCHEMBL5553285 0.78 LMNA (0.65) LMNAADAM17THRBHDAC1HDAC6
SCHEMBL10601812 0.77 LMNA (0.45) CTSLCTSBLMNASCN9AADAM17
SCHEMBL10601821 0.77 LMNA (0.45) CTSLCTSBLMNASCN9AADAM17
SCHEMBL8864885 0.76 LMNA (0.55) LMNAADAM17THRBHDAC1HDAC6
SCHEMBL8864894 0.76 LMNA (0.55) LMNAADAM17THRBHDAC1HDAC6
SCHEMBL10782255 0.75 CTSL (0.52) CTSLCTSBCTSSCTSKLMNA
SCHEMBL24298437 0.75 LMNA (0.54) LMNAADAM17THRBHDAC1HDAC6

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
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 — — EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 — — US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 — — US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 — — US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 — — EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 — — 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885

“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.

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