SCHEMBL4075762

SCHEMBL4075762

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.65
CTSL P07711 4/20 0.65
CA2 P00918 1/20 0.64
CA5A P35218 1/20 0.64
CTSB P07858 4/20 0.62
CA1 P00915 1/20 0.61
CASP3 P42574 2/20 0.60
CTSD P07339 1/20 0.60
CASP1 P29466 1/20 0.60
CASP7 P55210 1/20 0.60
CASP9 P55211 1/20 0.60
CASP6 P55212 1/20 0.60
CASP8 Q14790 1/20 0.60
CTSK P43235 5/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
ELANE P08246 1/20 0.56
PRTN3 P24158 1/20 0.56

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
SCHEMBL11672300 0.90 CTSD (0.71) CTSSCTSLCA2CA5ACTSB
SCHEMBL14401772 0.90 CTSD (0.71) CTSSCTSLCA2CA5ACTSB
SCHEMBL9113504 0.89 CA2 (0.67) CTSSCTSLCA2CA5ACTSB
SCHEMBL11118896 0.89 CTSL (0.62) CTSSCTSLCA2CA5ACTSB
SCHEMBL2119163 0.89 CTSL (0.62) CTSSCTSLCA2CA5ACTSB
SCHEMBL13363809 0.88 CTSD (0.62) CTSSCTSLCA2CA5ACTSB
SCHEMBL1482542 0.88 CTSS (0.65) CTSSCTSLCA2CA5ACTSB
SCHEMBL10453620 0.88 CA2 (0.66) CTSSCTSLCA2CA5ACTSB
SCHEMBL2228720 0.88 CA2 (0.63) CTSSCTSLCA2CA5ACTSB
SCHEMBL13870515 0.88 CA2 (0.66) CTSSCTSLCA2CA5ACTSB

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-9388368-B2 Cleaning compositions containing a polyetheramine THE PROCTER & GAMBLE COMPANY (US) 2016-07-12 US disclosed
US-8207107-B2 Di-amido gellant for use in consumer product compositions THE PROCTER & GAMBLE COMPANY (US) 2012-06-26 US disclosed
US-8168579-B2 Fluid detergent compositions comprising a di-amido gellant, and processes for making THE PROCTER AND GAMBLE COMPANY (US) 2012-05-01 US disclosed
US-20110220536-A1 Fluid Detergent Compositions Comprising a Di-Amido Gellant, and Processes for Making THE PROCTER & GAMBLE COMPANY 2011-09-15 US disclosed
US-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 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 4321/4885CTSL 4507/4885CA2 4499/4885

“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.