SCHEMBL6183685

SCHEMBL6183685

CC(C)C[C@H](NC(=O)CCCc1ccccc1)C(=O)NCC#N

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.63
CTSS P25774 5/20 0.63
CTSB P07858 5/20 0.63
CTSK P43235 3/20 0.63
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL22392193 0.85 SMN1; SMN2 (0.59) HPGDSMN1; SMN2LMNAPKM
SCHEMBL26709729 0.85 SMN1; SMN2 (0.59) CTSLCTSSCTSBCTSKHPGD
SCHEMBL21759695 0.83 SMN1; SMN2 (0.63) HPGDSMN1; SMN2LMNAPKM
SCHEMBL4268532 0.83 SMN1; SMN2 (0.63) HPGDSMN1; SMN2LMNAPKM
SCHEMBL7510189 0.81 SMN1; SMN2 (0.52) CTSLCTSSCTSBCTSKHPGD
SCHEMBL26259892 0.81 SMN1; SMN2 (0.60) HPGDSMN1; SMN2LMNAPKM
SCHEMBL20877889 0.81 SMN1; SMN2 (0.60) HPGDSMN1; SMN2LMNAPKM
SCHEMBL13683266 0.80 MMP3 (0.65)
SCHEMBL9641494 0.79 CYP3A4 (0.56) CTSLCTSKHPGDSMN1; SMN2LMNA
SCHEMBL9641489 0.78 CTSB (0.55) CTSLCTSBHPGDSMN1; SMN2

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 14/4885CTSS 10/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSB 11/4885

“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.