Sugi Predict

Sugi Predict / Compounds / SCHEMBL5534170

SCHEMBL5534170

SCHEMBL5534170

COc1ccc(C(=O)NCC(SCc2ccccc2)C(=O)NCC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ CTSL P07711 3/20 0.47
▸ CTSB P07858 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ ELANE P08246 1/20 0.46

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
SCHEMBL5524114 0.90 CTSL (0.56) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL5522695 0.89 CTSL (0.53) NPC1RAB9ACTSLSMN1; SMN2SIGMAR1
SCHEMBL5525939 0.88 CTSL (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5532200 0.88 CTSS (0.61) CTSSCTSKNPC1RAB9ACTSL
SCHEMBL5529048 0.88 CTSL (0.52) CTSSCTSKCTSLCTSBSMN1; SMN2
SCHEMBL5526844 0.87 CTSL (0.52) CTSSCTSKNPC1RAB9ACTSL
SCHEMBL5526533 0.85 CTSS (0.51) CTSSCTSKNPC1RAB9ACTSL
SCHEMBL5518429 0.84 CTSL (0.51) CTSSCTSKRAB9ACTSLCTSB
SCHEMBL5518295 0.83 CTSL (0.51) CTSSCTSKCTSLCTSBEPHX1
SCHEMBL6739752 0.83 LMNA (0.53) CTSSCTSKNPC1RAB9ACTSL

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 L3MBTL1 2986/4885CTSS 10/4885CTSK 32/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 L3MBTL1 2986/4885CTSS 10/4885CTSK 32/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 L3MBTL1 2986/4885CTSS 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.