Sugi Predict

Sugi Predict / Compounds / SCHEMBL5530388

SCHEMBL5530388

SCHEMBL5530388

N#CCNC(=O)C(CNC(=O)c1ccc(F)c(F)c1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 10/20 0.55
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ CTSK P43235 6/20 0.43
▸ CTSS P25774 6/20 0.43
▸ CTSB P07858 1/20 0.43
▸ DPP4 P27487 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ ACKR3 P25106 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
SCHEMBL5525765 0.88 CTSL (0.71) CTSLCTSKCTSSCTSBKCNH2
SCHEMBL7567924 0.86 CTSL (0.54) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5527661 0.85 CTSL (0.57) CTSLCTSKCTSSCTSBDPP4
SCHEMBL5522184 0.84 CTSL (0.56) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5521620 0.84 CTSL (0.56) CTSLCTSKCTSSCTSB
SCHEMBL5525342 0.84 CTSL (0.60) CTSLCTSKCTSSCTSBDPP7
SCHEMBL5522783 0.84 CTSL (0.53) CTSLCTSKCTSSCTSBCTSV
SCHEMBL5525451 0.84 CTSL (0.49) CTSLCTSKCTSSCTSB
SCHEMBL7477506 0.84 CTSL (0.54) CTSLTAS1R3TAS1R1TAS1R2CTSK
SCHEMBL5534377 0.84 CTSL (0.49) CTSLCTSKCTSSCTSBCTSV

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
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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 — — EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES 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 (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 CTSL 14/4885TAS1R3 3999/4885TAS1R1 4127/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885TAS1R3 3999/4885TAS1R1 4127/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885TAS1R3 3999/4885TAS1R1 4127/4885

“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.