SCHEMBL1707910

SCHEMBL1707910

COC(=O)c1cccc(Nc2ccc(C(F)(F)F)cc2N)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.60
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAS2R14 Q9NYV8 4/20 0.47
RXFP1 Q9HBX9 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 2/20 0.41
PTGS1 P23219 2/20 0.40
RORC P51449 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
SCHEMBL6141350 0.89 CFTR (0.64) CFTRALDH1A1KDM4EGAAMAPT
SCHEMBL3718012 0.88 TAS2R14 (0.58) CFTRALDH1A1KDM4EGAAMAPT
SCHEMBL1708315 0.85 LMNA (0.45) CFTRALDH1A1KDM4ETAS2R14MRGPRX4
SCHEMBL1707815 0.84 ALDH1A1 (0.44) CFTRALDH1A1KDM4EGAAMAPT
SCHEMBL1708210 0.84 FFAR4 (0.52) CFTRALDH1A1KDM4EGAAMAPT
SCHEMBL10008943 0.82 MAPK1 (0.55) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1707810 0.81 LMNA (0.54) CFTRALDH1A1KDM4EGAAMEN1
SCHEMBL1707753 0.81 ALDH1A1 (0.60) CFTRALDH1A1KDM4EMAPTMEN1
SCHEMBL20442581 0.81 CFTR (0.59) CFTRALDH1A1KDM4EGAAMAPT
SCHEMBL6141454 0.79 CFTR (0.60) CFTRALDH1A1KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R CFTR 107/4885ALDH1A1 3930/4885KDM4E 3896/4885

“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.