SCHEMBL4075738

SCHEMBL4075738

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.62
CTSK P43235 6/20 0.62
TPSAB1 Q15661 2/20 0.61
PLG P00747 1/20 0.61
PRSS1 P07477 1/20 0.61
CTSS P25774 7/20 0.57
CTSL P07711 6/20 0.57
CTSB P07858 4/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL9136357 0.91 CTSK (0.62) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10953796 0.90 CYP1A2 (0.61) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL9819553 0.89 CYP1A2 (0.60) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL9574094 0.89 CYP1A2 (0.60) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10953712 0.89 CTSK (0.62) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL7510804 0.89 CYP1A2 (0.60) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL10957418 0.87 CYP1A2 (0.58) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL15318479 0.87 CA5A (0.62) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL11436292 0.87 CYP1A2 (0.58) CYP1A2CTSKTPSAB1PLGPRSS1
SCHEMBL11517210 0.87 CYP1A2 (0.58) CYP1A2CTSKTPSAB1PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110224455-A1 Di-Amido Gellant For Use In Consumer Product Compositions THE PROCTER & GAMBLE COMPANY 2011-09-15 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

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 CYP1A2 835/4885CTSK 2957/4885TPSAB1 3331/4885

“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.