SCHEMBL4889772

SCHEMBL4889772

Cc1c(C(=O)O)cn(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
SCN9A Q15858 3/20 0.40
SCN5A Q14524 2/20 0.40
CYP2C8 P10632 1/20 0.40
GRM5 P41594 1/20 0.40
SRD5A2 P31213 1/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
KDM1A O60341 1/20 0.39
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL4638435 0.85 RXRB (0.51) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL4638916 0.83 NOTUM (0.42) KDM4CKDM4EGRM5
SCHEMBL15882745 0.80 NPC1 (0.45) KDM4CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2025180 0.75 TAS2R14 (0.47) ALDH1A1HPGDSCN9ADHODHTAS2R14
SCHEMBL4943966 0.73 RXRA (0.49) RXRARXRBSCN9ASCN5AADRB3
SCHEMBL1381469 0.72 NR3C2 (0.46) KDM4CKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4886033 0.71 HCAR2 (0.37) KDM4CKDM4EALDH1A1NPC1RAB9A
SCHEMBL20379044 0.71 DHODH (0.43) KDM2BKDM4CSCN9AGRM5SRD5A2
SCHEMBL4893743 0.70 ALDH1A1 (0.44) RXRARXRBALDH1A1SCN9ADHODH
SCHEMBL4896703 0.70 HSD11B1 (0.46)

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 9 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
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US 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

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 KDM2B 4753/4885KDM4C 4796/4885RXRA 189/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 KDM2B 4753/4885KDM4C 4796/4885RXRA 189/4885

“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.