SCHEMBL3698303

SCHEMBL3698303

CCOC(=O)C(CSC(C)(C)C)NC(=O)C(N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.47
METAP2 P50579 2/20 0.47
MMP8 P22894 1/20 0.46
CTSC P53634 2/20 0.45
METAP1 P53582 1/20 0.45
MME P08473 1/20 0.42
ANPEP P15144 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
TACR1 P25103 1/20 0.41
HPRT1 P00492 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
SCHEMBL7613852 1.00 OPRK1 (0.47) OPRK1METAP2MMP8CTSCMETAP1
SCHEMBL7610222 0.91 MME (0.51) OPRK1CTSCMMEANPEPCTSL
SCHEMBL3706481 0.91 MME (0.51) OPRK1CTSCMMEANPEPCTSL
SCHEMBL29480449 0.85 OPRK1 (0.57) OPRK1MMP8CTSCTACR1HPRT1
SCHEMBL3701701 0.84 PSMB5 (0.50) MMP8CTSLCTSBTACR1
SCHEMBL7617954 0.84 PSMB5 (0.50) MMP8CTSLCTSBTACR1
Hydrochloric Acid SCHEMBL9513055 0.84 OPRK1 (0.56) OPRK1MMP8CTSCTACR1HPRT1
SCHEMBL3700091 0.84 CTSL (0.53) CTSLTACR1
SCHEMBL5020124 0.84 CTSL (0.53) CTSLTACR1
SCHEMBL30295503 0.83 OPRK1 (0.55) OPRK1MMP8CTSCTACR1

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 OPRK1 3227/4885METAP2 62/4885MMP8 2463/4885
US-20120122792-A1 S-t-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS CSTB, IAPP, VIP OPRK1 3227/4885METAP2 62/4885MMP8 2463/4885

“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.