SCHEMBL1457751

SCHEMBL1457751

CCOc1c(Br)cc(C(=O)O)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
TPMT P51580 1/20 0.45
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
NOTUM Q6P988 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
THRA P10827 2/20 0.42
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TTR P02766 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
MAPT P10636 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL1458150 0.84 MAPT (0.56) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1458048 0.84 THRB (0.64) THRBTPMTNCOA1NCOA3TSHR
SCHEMBL1458056 0.82 HTT (0.52) TPMTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL1457726 0.78 MAPT (0.54) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL1458118 0.78 MAPT (0.50) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14907068 0.76 KMT2A (0.59) THRBTPMTNCOA1NCOA3TSHR
SCHEMBL9944279 0.75 MAPT (0.53) HSD17B10LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL22400615 0.74 NOTUM (0.49) TPMTNOTUMLMNAKMT2AMEN1
SCHEMBL29529630 0.74 NOTUM (0.49) TPMTNOTUMLMNAKMT2AMEN1
SCHEMBL7792646 0.74 TSHR (0.42) THRBTSHRLMNARXRARXRB

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 5 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
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
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 THRB 642/4885TPMT 2218/4885NCOA1 19/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG THRB 642/4885TPMT 2218/4885NCOA1 19/4885

“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.