SCHEMBL3900976

SCHEMBL3900976

OCc1ccc(Oc2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.64
LTA4H P09960 1/20 0.51
AR P10275 1/20 0.47
NR1H2 P55055 4/20 0.44
NR1H3 Q13133 4/20 0.44
STK39 Q9UEW8 1/20 0.43
RAF1 P04049 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
BRD4 O60885 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL876502 0.86 TTR (0.45) TTRLTA4HARNR1H2NR1H3
SCHEMBL883499 0.85 EPAS1 (0.49) TTRARNR1H2NR1H3
SCHEMBL12238995 0.84 LOXL2 (0.46) TTRSTK39RAF1LPAR1LPAR5
SCHEMBL9889486 0.84 AR (0.48) TTRARNR1H2NR1H3
SCHEMBL7995147 0.83 SMN1; SMN2 (0.46) TTRARNR1H2NR1H3
SCHEMBL20857064 0.81 NR1H3 (0.46) TTRNR1H3STK39RAF1LPAR1
SCHEMBL14662039 0.81 AR (0.54) TTRAR
SCHEMBL14663638 0.81 AR (0.50) TTRARNR1H2NR1H3KIF11
SCHEMBL79041 0.80 RXRA (0.56)
SCHEMBL18235655 0.80 AR (0.52) TTRAR

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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 (1 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 TTR 4136/4885LTA4H 562/4885AR 611/4885

“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.