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Sugi Predict / Compounds / SCHEMBL6590402

SCHEMBL6590402

SCHEMBL6590402

CC(=O)Nc1cccc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N(C)C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.51
▸ CTSS P25774 6/20 0.51
▸ CTSK P43235 3/20 0.51
▸ CTSB P07858 2/20 0.51
▸ NPC1 O15118 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ USP30 Q70CQ3 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.42
▸ GPR132 Q9UNW8 1/20 0.42
▸ GRN P28799 1/20 0.41
▸ SORT1 Q99523 1/20 0.41

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
SCHEMBL7562349 0.86 CTSL (0.54) CTSLCTSSCTSKCTSBUSP30
SCHEMBL7535546 0.86 CTSL (0.54) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5523605 0.85 CTSL (0.53) CTSLCTSSCTSKCTSBUSP30
SCHEMBL5522774 0.85 CTSS (0.53) CTSLCTSSCTSKCTSBNPC1
SCHEMBL7567919 0.85 USP30 (0.54) CTSLCTSSCTSKCTSBUSP30
SCHEMBL5530441 0.85 CTSL (0.69) CTSLCTSSCTSKCTSBUSP30
SCHEMBL5525335 0.85 CTSL (0.69) CTSLCTSSCTSKCTSBUSP30
SCHEMBL7539325 0.85 CTSS (0.54) CTSLCTSSCTSKCTSBNPC1
SCHEMBL5520686 0.85 CTSL (0.58) CTSLCTSSCTSKCTSBUSP30
SCHEMBL5529198 0.84 PYGL (0.54) CTSLCTSSCTSKCTSBUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 10/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSS 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.