Sugi Predict

Sugi Predict / Compounds / SCHEMBL3702371

SCHEMBL3702371

SCHEMBL3702371

CC(C)C(NC(=O)c1ccccc1)C(=O)NC(CSC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ ACE P12821 1/20 0.45
▸ CTSK P43235 2/20 0.44
▸ TACR1 P25103 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ LNPEP Q9UIQ6 5/20 0.43
▸ ERAP2 Q6P179 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ CASP3 P42574 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ CASP8 Q14790 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ PRTN3 P24158 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
SCHEMBL7614061 1.00 POLB (0.45) POLBACECTSKTACR1CTSB
SCHEMBL5020122 0.89 KMT2A (0.45) POLBKMT2AALDH1A1CASP3CASP1
SCHEMBL3700040 0.89 KMT2A (0.45) POLBKMT2AALDH1A1CASP3CASP1
SCHEMBL7619172 0.89 ACE (0.55) ACECTSKTACR1PPARGPPARA
SCHEMBL3708599 0.89 ACE (0.55) ACECTSKTACR1PPARGPPARA
SCHEMBL3701471 0.87 BACE1 (0.49) KMT2APPARGPPARAMEN1
SCHEMBL7622853 0.87 BACE1 (0.49) KMT2APPARGPPARAMEN1
SCHEMBL3696924 0.86 ACE (0.56) ACECTSKTACR1CTSB
SCHEMBL7615303 0.86 ACE (0.56) ACECTSKTACR1CTSB
SCHEMBL7617136 0.83 LNPEP (0.48) POLBACECTSKTACR1CTSB

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-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2014-05-01 — — US disclosed
US-8624052-B2 S-t-butyl protected cysteine di-peptide analogs and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
EP-2638005-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2013-09-18 — — EP disclosed
WO-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 — — WO disclosed
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-17 — — 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-20140121202-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP POLB 3062/4885ACE 1727/4885CTSK 398/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP POLB 3062/4885ACE 1727/4885CTSK 398/4885

“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.