SCHEMBL9944171

SCHEMBL9944171

CC(=O)c1ccc(NC(=O)c2cc(Cl)c(OC(C)(C)C)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
MAPT P10636 7/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.47
PKM P14618 2/20 0.47
HTT P42858 1/20 0.47
NLRP1 Q9C000 1/20 0.47
KDM4E B2RXH2 1/20 0.47
STAT3 P40763 1/20 0.46
TP53 P04637 1/20 0.46
TOP1 P11387 1/20 0.46
BCAT2 O15382 1/20 0.46
PLAU P00749 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9944188 0.94 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9944166 0.92 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL1458438 0.89 TAS1R3 (0.56) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL1458550 0.88 TAS1R3 (0.58) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9944200 0.87 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9944278 0.84 TAS1R3 (0.53) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9894969 0.83 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9944198 0.83 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9944172 0.83 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2MAPTNPC1
SCHEMBL9944177 0.82 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG TAS1R3 1123/4885TAS1R1 693/4885TAS1R2 808/4885

“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.