SCHEMBL15957675

SCHEMBL15957675

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
AR P10275 3/20 0.39
ALDH1A1 P00352 1/20 0.33
CFTR P13569 3/20 0.32
HSD11B1 P28845 3/20 0.32
CD44 P16070 1/20 0.31
POLB P06746 1/20 0.30
PGR P06401 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL15745673 0.89 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1CYP3A4TSHRAR
SCHEMBL10002089 0.87 SMN1; SMN2 (0.42) SMN1; SMN2MAPK1ARALDH1A1CFTR
SCHEMBL15745669 0.87 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1CYP3A4TSHRAR
SCHEMBL15745677 0.85 SMN1; SMN2 (0.38) SMN1; SMN2MAPK1CYP3A4TSHRAR
SCHEMBL15831665 0.85 SMN1; SMN2 (0.41) SMN1; SMN2MAPK1ARALDH1A1CFTR
SCHEMBL15957658 0.85 AR (0.44) SMN1; SMN2ARALDH1A1HSD11B1POLB
SCHEMBL19461412 0.84 SMN1; SMN2 (0.37) SMN1; SMN2ARALDH1A1
SCHEMBL15745668 0.84 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1CYP3A4TSHRAR
SCHEMBL15745674 0.84 ALDH1A1 (0.48) SMN1; SMN2ARALDH1A1CFTR
SCHEMBL15745671 0.83 HSD11B1 (0.39) SMN1; SMN2ARHSD11B1

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 2 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-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 SMN1; SMN2 3546/4885MAPK1 1655/4885CYP3A4 2766/4885

“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.