SCHEMBL6182629

SCHEMBL6182629

CC(C)CC(NC(=O)c1cccc(NC(=O)NCc2ccccn2)c1)C(=O)NCC#N

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.59
CTSB P07858 5/20 0.59
CTSS P25774 4/20 0.59
CTSK P43235 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
TSHR P16473 1/20 0.59
ALOX15 P16050 1/20 0.54
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.48

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
SCHEMBL6182524 0.90 CTSL (0.62) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6183852 0.88 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL6182635 0.86 NPC1 (0.57) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6182146 0.86 CTSL (0.74) CTSLCTSBCTSSCTSK
SCHEMBL6184551 0.86 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL6181354 0.84 CTSL (0.59) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6183719 0.84 TSHR (0.60) CTSLCTSBCTSSCTSKSMN1; SMN2
SCHEMBL6182894 0.82 CTSL (0.63) CTSLCTSBCTSSCTSK
SCHEMBL6183922 0.82 CTSL (0.60) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6181875 0.80 CTSL (0.71) CTSLCTSBCTSSCTSK

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 5 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

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.