SCHEMBL2446582

SCHEMBL2446582

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.76
CTSK P43235 10/20 0.76
CTSB P07858 4/20 0.76
CTSL P07711 2/20 0.76
AKT1 P31749 1/20 0.72
PTPN1 P18031 2/20 0.60
ACE P12821 1/20 0.59

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
SCHEMBL2442760 0.97 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18879622 0.96 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL18879592 0.96 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL17337750 0.96 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440471 0.96 CTSS (0.71) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2447627 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2442224 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2404125 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2405030 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.96 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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
EP-2365050-B1 DI-AMIDO GELLANT FOR USE IN CONSUMER PRODUCT COMPOSITIONS PROCTER & GAMBLE (US) 2016-08-10 EP claimed
US-8207107-B2 Di-amido gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-06-26 US claimed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 US claimed
EP-2365050-A1 Di-amido gelaant for use in consumer product compositions The Procter & Gamble Company (US) 2011-09-14 EP claimed
EP-2365050-B1 DI-AMIDO GELLANT FOR USE IN CONSUMER PRODUCT COMPOSITIONS PROCTER & GAMBLE (US) 2016-08-10 EP disclosed
US-8207107-B2 Di-amido gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-06-26 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 (1 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-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions DAGLA, GNPAT, CDIPT CTSS 4321/4885CTSK 2957/4885CTSB 3509/4885

“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.