SCHEMBL10040931

SCHEMBL10040931

CCC(C)[C@H](NC(=O)c1ccccc1)C(=O)NCNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.60
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 1/20 0.52
CA2 P00918 2/20 0.51
ANPEP P15144 1/20 0.51
CA1 P00915 1/20 0.51
GAA P10253 1/20 0.50
CCR1 P32246 1/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CTSK P43235 1/20 0.46
CTSD P07339 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45

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
SCHEMBL4075735 0.86 ALDH1A1 (0.61) CTSLALDH1A1RAB9AGAACTSB
SCHEMBL11967368 0.86 HSPA5 (0.47) CTSLCA2CA1GAAHPGD
SCHEMBL22687175 0.84 CA2 (0.68) CTSLALDH1A1RAB9ACA2CA1
SCHEMBL2377937 0.84 CA2 (0.68) CTSLALDH1A1RAB9ACA2CA1
SCHEMBL10664012 0.84 CA2 (0.68) CTSLALDH1A1RAB9ACA2CA1
SCHEMBL2377934 0.84 CA2 (0.68) CTSLALDH1A1RAB9ACA2CA1
SCHEMBL4179268 0.82 CA2 (0.57) CTSLALDH1A1RAB9ACA2CA1
SCHEMBL4179270 0.82 CA2 (0.57) CTSLALDH1A1RAB9ACA2CA1
SCHEMBL12332576 0.81 CTSL (0.51) CTSLALDH1A1RAB9ACA2ANPEP
SCHEMBL22697323 0.81 TAS1R3 (0.60) CTSLALDH1A1RAB9ACA2CA1

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 2 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-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 CTSL 4507/4885ALDH1A1 1506/4885RAB9A 1043/4885

“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.