SCHEMBL9944209

SCHEMBL9944209

COc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(C)c2)cc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.52
TAS1R1 Q7RTX1 3/20 0.52
TAS1R2 Q8TE23 3/20 0.52
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
RORC P51449 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
PLAU P00749 1/20 0.44
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
USP2 O75604 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
SCHEMBL9944193 0.93 RORC (0.49) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL1458658 0.93 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL1457780 0.93 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944237 0.90 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944212 0.89 TAS1R3 (0.60) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944164 0.89 PLAU (0.49) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944199 0.89 TAS1R3 (0.65) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944218 0.89 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL9944217 0.88 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL9944245 0.88 RORC (0.50) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
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 (2 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
US-20160039747-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.