SCHEMBL4639880

SCHEMBL4639880

NC(=O)c1cc(C(F)(F)F)ccc1OCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 6/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
XBP1 P17861 1/20 0.44
CES2 O00748 1/20 0.44
MAPK1 P28482 1/20 0.43
SCN8A Q9UQD0 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
SCN9A Q15858 1/20 0.43
CASP1 P29466 2/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL18963341 0.88 CNR2 (0.49) CYP1A2CYP2C9ALDH1A1MRGPRX4SCN9A
SCHEMBL3711919 0.86 MRGPRX4 (0.44) CYP1A2CYP2C9KDM4EALDH1A1MRGPRX4
SCHEMBL11786444 0.84 KDM4E (0.69) CYP1A2CYP2C9KDM4EMAPTHTT
SCHEMBL7336593 0.84 ALDH1A1 (0.52) CYP1A2CYP2C9KDM4EMAPTHTT
SCHEMBL2171543 0.81 VDR (0.52) CYP1A2CYP2C9HTTALDH1A1MRGPRX4
SCHEMBL4638408 0.81 CFTR (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL29617695 0.81 CFTR (0.50) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL477870 0.80 SLC6A9 (0.52) KDM4EHTTALDH1A1KMT2AMAPK1
SCHEMBL3441526 0.79 HTT (0.54) CYP1A2CYP2C9KDM4EMAPTHTT
SCHEMBL17180898 0.78 PTGDR2 (0.41) CYP1A2CYP2C9KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 CYP1A2 2129/4885CYP2C9 3639/4885KDM4E 4268/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 CYP1A2 2129/4885CYP2C9 3639/4885KDM4E 4268/4885

“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.