SCHEMBL1457789

SCHEMBL1457789

COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2F)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
TAS1R2 Q8TE23 4/20 0.49
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
GAA P10253 2/20 0.47
CYP3A4 P08684 2/20 0.47
ABCB1 P08183 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGFR P43088 1/20 0.46
RAB9A P51151 2/20 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
SCHEMBL9944147 0.85 TAS1R3 (0.58) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL1458012 0.84 LMNA (0.60) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL1458092 0.80 MAPT (0.57) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL1457753 0.80 MEN1 (0.61) LMNAMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1458336 0.79 TPMT (0.61) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL1459204 0.77 MAPT (0.57) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL9944096 0.76 PTGFR (0.52) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL1459323 0.75 LMNA (0.57) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL25348907 0.74 TAS1R3 (0.73) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL9897446 0.73 MAPT (0.49) LMNAMEN1KMT2AHTTTAS1R3

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 9 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-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-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 WO 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 LMNA 1825/4885ALDH1A1 128/4885MEN1 4809/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG LMNA 1825/4885ALDH1A1 128/4885MEN1 4809/4885

“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.