SCHEMBL9944149

SCHEMBL9944149

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
PKM P14618 1/20 0.55
TAS1R3 Q7RTX0 3/20 0.55
TAS1R1 Q7RTX1 3/20 0.55
TAS1R2 Q8TE23 3/20 0.55
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
MMP2 P08253 1/20 0.48
HSD11B1 P28845 1/20 0.48
PYGL P06737 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX12 P18054 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
TPMT P51580 1/20 0.46

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
SCHEMBL9944206 0.92 TAS1R3 (0.56) KMT2APKMTAS1R3TAS1R1TAS1R2
SCHEMBL9944138 0.91 TAS1R3 (0.57) KMT2APKMTAS1R3TAS1R1TAS1R2
SCHEMBL9944146 0.87 TAS1R3 (0.54) KMT2ATAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL1457759 0.85 TAS1R3 (0.64) KMT2APKMTAS1R3TAS1R1TAS1R2
SCHEMBL9944098 0.85 PKM (0.60) KMT2APKMALDH1A1MEN1PYGL
SCHEMBL1459323 0.84 LMNA (0.57) KMT2APKMTAS1R3TAS1R1TAS1R2
SCHEMBL9944174 0.84 TAS1R3 (0.59) KMT2APKMTAS1R3TAS1R1TAS1R2
SCHEMBL9944136 0.84 TAS1R3 (0.65) KMT2APKMTAS1R3TAS1R1TAS1R2
SCHEMBL9944089 0.84 PKM (0.65) KMT2APKMMEN1HPGDPYGL
SCHEMBL1458655 0.82 KMT2A (0.67) KMT2APKMTAS1R3TAS1R1TAS1R2

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 KMT2A 1418/4885PKM 4030/4885TAS1R3 1123/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG KMT2A 1418/4885PKM 4030/4885TAS1R3 1123/4885

“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.