Sugi Predict

Sugi Predict / Compounds / SCHEMBL6183060

SCHEMBL6183060

SCHEMBL6183060

CC(CCNC(=O)C1CCN(Cc2csc(N3CCNCC3)n2)CC1)CC(=O)NCC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 7/20 0.40
▸ CTSS P25774 7/20 0.40
▸ CTSK P43235 6/20 0.40
▸ CTSL P07711 6/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DNM1L O00429 2/20 0.33
▸ ERG P11308 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ BAZ2A Q9UIF9 1/20 0.33

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
SCHEMBL6183507 0.87 CHRM4 (0.39) CTSBCTSSCTSKCTSLACKR3
SCHEMBL6183053 0.80 CTSL (0.51) CTSBCTSSCTSKCTSLACKR3
SCHEMBL6182910 0.77 CTSL (0.41) CTSBCTSSCTSKCTSLMAPT
SCHEMBL6181116 0.75 CTSB (0.55) CTSBCTSSCTSKCTSLMAPT
SCHEMBL6184476 0.75 GNAI3 (0.45) CTSBCTSSCTSKCTSLPOLB
SCHEMBL6181785 0.74 JAK2 (0.38) CTSBCTSSCTSKCTSLACKR3
SCHEMBL7487225 0.73 CTSK (0.40) CTSBCTSSCTSKCTSLACKR3
Tert-Butyl Formate SCHEMBL27575976 0.67 AOC3 (0.44) ACKR3CHRM4AOC3KDM4ESMN1; SMN2
SCHEMBL6183501 0.67 HRH3 (0.38) CTSBCTSSCTSKCTSLACKR3
SCHEMBL6182475 0.67 CTSS (0.62) CTSBCTSSCTSKCTSLMAPT

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 8 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-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 CTSB 11/4885CTSS 10/4885CTSK 32/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSB 11/4885CTSS 10/4885CTSK 32/4885

“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.