Sugi Predict

Sugi Predict / Compounds / SCHEMBL5530581

SCHEMBL5530581

SCHEMBL5530581

N#CCNC(=O)C(CNC(=O)c1cc2ccccc2s1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.64
▸ CTSB P07858 2/20 0.52
▸ CTSS P25774 2/20 0.52
▸ OPRD1 P41143 1/20 0.46
▸ OPRL1 P41146 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSK P43235 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL5525342 0.81 CTSL (0.60) CTSBCTSSRAB9ACTSLCTSK
SCHEMBL5525451 0.81 CTSL (0.49) OPRM1CTSBCTSSOPRD1RAB9A
SCHEMBL5534154 0.81 CTSL (0.53) OPRM1CTSBCTSSRAB9ACTSL
SCHEMBL5528198 0.81 CTSL (0.46) OPRM1CTSBCTSSRAB9ACTSL
SCHEMBL5521693 0.80 CTSL (0.53) OPRM1CTSBCTSSRAB9ACTSL
SCHEMBL5520849 0.80 CTSL (0.45) OPRM1CTSBCTSSRAB9ACTSL
SCHEMBL5530578 0.80 CTSS (0.68) OPRM1CTSBCTSSCTSLCTSK
SCHEMBL5525394 0.79 RAB9A (0.52) OPRM1RAB9A
SCHEMBL5526546 0.78 RAB9A (0.52) CTSSRAB9ASLC6A2SLC6A4
SCHEMBL7561473 0.78 CTSK (0.48) CTSBCTSSCTSLCTSK

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
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 OPRM1 2965/4885CTSB 11/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 OPRM1 2965/4885CTSB 11/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 OPRM1 2965/4885CTSB 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.