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Sugi Predict / Compounds / SCHEMBL6182948

SCHEMBL6182948

SCHEMBL6182948

CC(CCNC(=O)c1ccc(N(C)c2nc(-c3ccncc3)cs2)cc1)CC(=O)NCC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 8/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ GCGR P47871 4/20 0.40
▸ GIPR P48546 4/20 0.40
▸ UCHL1 P09936 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ GFER P55789 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL6183464 0.85 NPC1 (0.48) CTSLCTSBCTSSNPC1KDM4E
SCHEMBL6183646 0.83 PARP1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL6183920 0.83 NPC1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL7452860 0.81 KDM4E (0.60) CTSLCTSBCTSSNPC1GFER
SCHEMBL7450325 0.81 ALDH1A1 (0.47) CTSLCTSBCTSSNPC1KDM4E
SCHEMBL6183157 0.81 KDM4E (0.60) CTSLCTSBCTSSNPC1GFER
SCHEMBL7554411 0.80 EPHX2 (0.50) CTSLCTSSNPC1ALDH1A1RAB9A
SCHEMBL6182943 0.79 CTSB (0.56) GRM1CTSLCTSBCTSSNPC1
SCHEMBL6184482 0.78 RAB9A (0.51) NPC1KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL7452250 0.78 HDAC1 (0.49) CTSLCTSBCTSSNPC1KDM4E

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
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
WO-2001068645-A2 N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-20 — — 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 GRM1 4568/4885CTSL 14/4885CTSB 11/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GRM1 4568/4885CTSL 14/4885CTSB 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.