SCHEMBL6183922

SCHEMBL6183922

CC(C)CC(NC(=O)c1cccc(NC(=O)NCc2ccco2)c1)C(=O)NCC#N

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.60
ALDH1A1 P00352 2/20 0.58
HTT P42858 1/20 0.58
CTSB P07858 6/20 0.58
CTSS P25774 4/20 0.58
CTSK P43235 2/20 0.58
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSV O60911 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
SCHEMBL6184536 0.90 CTSL (0.61) CTSLCTSBCTSSCTSK
SCHEMBL6182146 0.87 CTSL (0.74) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6183925 0.86 ALDH1A1 (0.56) CTSLALDH1A1HTTCTSBCTSS
SCHEMBL6184551 0.83 CTSL (0.61) CTSLHTTCTSBCTSSCTSK
SCHEMBL6182629 0.82 CTSL (0.59) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6181875 0.81 CTSL (0.71) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6183719 0.81 TSHR (0.60) CTSLCTSBCTSSCTSKL3MBTL1
SCHEMBL6182427 0.80 CTSL (0.69) CTSLCTSBCTSSCTSKCTSV
SCHEMBL6182894 0.79 CTSL (0.63) CTSLALDH1A1HTTCTSBCTSS
SCHEMBL6184464 0.79 CTSL (0.67) CTSLCTSBCTSSCTSKCTSV

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 14/4885ALDH1A1 4049/4885HTT 3328/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885ALDH1A1 4049/4885HTT 3328/4885

“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.