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Sugi Predict / Compounds / SCHEMBL5525513

SCHEMBL5525513

SCHEMBL5525513

N#CCNC(=O)N(CCc1ccc2ccccc2c1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 10/20 0.47
▸ CTSL P07711 9/20 0.47
▸ CTSB P07858 4/20 0.47
▸ CTSK P43235 4/20 0.47
▸ PDPK1 O15530 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 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
SCHEMBL6184239 0.83 CTSS (0.56) CTSSCTSLCTSBCTSKCYP1A2
SCHEMBL5526069 0.75 CTSS (0.49) CTSSCTSLCTSBCTSK
SCHEMBL6875724 0.71 CTSK (0.52) CTSSCTSLCTSBCTSK
SCHEMBL6020307 0.69 CTSL (0.89) CTSSCTSLCTSBCTSK
SCHEMBL6019536 0.69 CTSS (0.61) CTSSCTSLCTSBCTSK
SCHEMBL5526270 0.68 CTSS (0.57) CTSSCTSLCTSBCTSK
SCHEMBL6184360 0.68 CTSS (0.56) CTSSCTSLCTSBCTSKALDH1A1
SCHEMBL6443833 0.67 SIGMAR1 (0.41) PDPK1CYP1A2CA12CA1CA2
SCHEMBL6443830 0.67 SIGMAR1 (0.41) PDPK1CYP1A2CA12CA1CA2
SCHEMBL2220867 0.67 ERCC1 (0.49) MEN1ALDH1A1KMT2AALOX5

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 — — EP 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 CTSS 10/4885CTSL 14/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 14/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSL 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.