SCHEMBL6182910

SCHEMBL6182910

CC(CCNC(=O)c1ccc(OCc2csc(N3CCNCC3)n2)cc1)CC(=O)NCC#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.41
CTSB P07858 10/20 0.41
CTSS P25774 10/20 0.41
CTSK P43235 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
AOC3 Q16853 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL6185234 0.87 GPR119 (0.40) CTSLCTSBCTSSCTSKL3MBTL1
SCHEMBL6181116 0.85 CTSB (0.55) CTSLCTSBCTSSCTSKMAPT
SCHEMBL6182905 0.81 CTSK (0.61) CTSLCTSBCTSSCTSK
SCHEMBL6183060 0.77 CTSB (0.40) CTSLCTSBCTSSCTSKAOC3
SCHEMBL6182475 0.77 CTSS (0.62) CTSLCTSBCTSSCTSKMAPT
SCHEMBL6181785 0.76 JAK2 (0.38) CTSLCTSBCTSSCTSKMAPT
SCHEMBL6182198 0.76 CTSB (0.61) CTSLCTSBCTSSCTSKMEN1
SCHEMBL6183392 0.74 CTSB (0.49) CTSLCTSBCTSSCTSKMAPT
SCHEMBL7536506 0.74 CTSK (0.44) CTSLCTSBCTSSCTSKL3MBTL1
SCHEMBL6182194 0.74 MAPT (0.55) CTSLCTSBCTSSCTSKMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO claimed
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-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 WO 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.