Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL5954861

CCc1nc(C(=O)[C@H](CC)NC(=O)C(CC(=O)N2CCOCC2)CS(C)(=O)=O)no1.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.36
▸ CTSL P07711 7/20 0.36
▸ CTSK P43235 7/20 0.36
▸ KMT2A Q03164 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ REN P00797 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33
▸ PIN1 Q13526 2/20 0.33

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
SCHEMBL5954856 0.89 CTSS (0.39) CTSSCTSLCTSKALDH1A1REN
SCHEMBL6282206 0.89 CTSS (0.39) CTSSCTSLCTSKALDH1A1REN
Benzene SCHEMBL5955881 0.88 HDAC4 (0.40) CTSSCTSLCTSK
SCHEMBL6076791 0.86 CTSS (0.42) CTSSCTSLCTSKRAB9AMAPT
SCHEMBL6078504 0.83 CTSS (0.41) CTSSCTSLCTSKRENPRSS1
SCHEMBL5954858 0.83 KMT2A (0.38) CTSSCTSLCTSKKMT2ARAB9A
SCHEMBL6077861 0.82 CTSS (0.38) CTSSCTSLCTSKRAB9AMAPT
SCHEMBL5955789 0.82 CTSS (0.39) CTSSCTSLCTSKMAPTREN
SCHEMBL8360184 0.82 CTSS (0.39) CTSSCTSLCTSKMAPTREN
Benzene SCHEMBL5955023 0.82 CYP1A2 (0.40) CTSSCTSLCTSKKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 — — US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 — — US claimed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 — — EP claimed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 — — WO claimed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 — — US claimed
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 — — US disclosed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 — — US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 — — EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 — — WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 — — 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 (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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885
US-20060089357-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CTSL 11/4885CTSK 8/4885

“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.