SCHEMBL13199125

SCHEMBL13199125

Cc1cc(N)c(C(F)(F)CO)cc1C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CD44 P16070 1/20 0.31

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 0.86 CYP3A4 (0.43) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13199246 0.85 PGK1 (0.34) ALDH1A1
SCHEMBL15957608 0.81 PGK1 (0.39)
SCHEMBL15957644 0.78 CYP3A4 (0.43) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL15957661 0.78 ALOX15 (0.37) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL8185269 0.76 TSHR (0.48) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13199126 0.73 SMN1; SMN2 (0.61) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL13199112 0.73 PGK1 (0.32) TSHRALDH1A1
SCHEMBL15957615 0.72 ALOX15 (0.41) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL15957675 0.72 SMN1; SMN2 (0.42) CYP3A4TSHRMAPK1SMN1; SMN2ALDH1A1

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-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
WO-2010095678-A1 FLUORINATED DICARBOXYLIC ACID DERIVATIVE AND POLYMER OBTAINED THEREFROM セントラル硝子株式会社 (JP) 2010-08-26 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 (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.