SCHEMBL9944146

SCHEMBL9944146

COc1c(C)cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.54
TAS1R1 Q7RTX1 3/20 0.54
TAS1R2 Q8TE23 3/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CPT2 P23786 5/20 0.51
CPT1A P50416 5/20 0.51
CPT1B Q92523 5/20 0.51
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL9944203 0.92 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9944138 0.90 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9944097 0.89 PLAU (0.47) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9944148 0.88 RAB9A (0.58) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9944149 0.87 KMT2A (0.55) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9944095 0.86 RARA (0.52) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL1458092 0.86 MAPT (0.57) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL1458271 0.85 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL1457759 0.84 TAS1R3 (0.64) TAS1R3TAS1R1TAS1R2LMNAALDH1A1
SCHEMBL9944174 0.83 TAS1R3 (0.59) TAS1R3TAS1R1TAS1R2LMNAALDH1A1

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.