SCHEMBL15957644

SCHEMBL15957644

Cc1cc(C)c(C(F)(F)CO)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP7 P55210 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
AR P10275 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
S100B P04271 1/20 0.32
TERT O14746 1/20 0.31
CFTR P13569 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL15957612 0.92 CYP3A4 (0.43) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL15957608 0.83 PGK1 (0.39) PGK1PGK2
SCHEMBL13199322 0.78 PGK1 (0.37) CYP3A4MAPK1ALDH1A1CYP1A2ALOX15
SCHEMBL13199125 0.78 CYP3A4 (0.39) CYP3A4TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL29937087 0.77 TSHR (0.52) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL20655211 0.77 TSHR (0.52) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL13199246 0.74 PGK1 (0.34) ALDH1A1PGK1PGK2
SCHEMBL15957615 0.74 ALOX15 (0.41) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL15957878 0.74 SMN1; SMN2 (0.55) CYP3A4TSHRMAPK1ALDH1A1CYP1A2
SCHEMBL15957664 0.73 CYP3A4 (0.43) CYP3A4TSHRMAPK1ALDH1A1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-8809451-B2 Fluorinated dicarboxylic acid derivative and polymer obtained therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-19 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-08 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 (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-20110301305-A1 Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom MCCC2, AFF2, F13A1 CYP3A4 2766/4885TSHR 4737/4885MAPK1 1655/4885

“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.