SCHEMBL3778788

SCHEMBL3778788

O=C(O)C=Cc1ccc(C(F)(F)F)nc1Oc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
HTT P42858 2/20 0.42
GAA P10253 2/20 0.40
MIF P14174 1/20 0.37
TDO2 P48775 1/20 0.36
ESR1 P03372 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
SCN9A Q15858 1/20 0.35
CHEK2 O96017 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IP6K1 Q92551 1/20 0.34
IP6K3 Q96PC2 1/20 0.34
IP6K2 Q9UHH9 1/20 0.34

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
SCHEMBL3778785 1.00 PPARG (0.46) PPARGHTTGAAMIFTDO2
SCHEMBL3779741 0.90 HTT (0.50) HTTGAAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3778876 0.90 HTT (0.50) HTTGAAKDM4ESMN1; SMN2ALDH1A1
Phenol SCHEMBL4441181 0.85 HTT (0.46) PPARGHTTGAAMIFESR1
Phenol SCHEMBL4441185 0.85 HTT (0.46) PPARGHTTGAAMIFESR1
SCHEMBL13018058 0.81 SMN1; SMN2 (0.39) HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4441182 0.80 MAOB (0.56) HTT
SCHEMBL3789099 0.78 KDM4E (0.44) PPARGGAAMIFESR1KDM4E
SCHEMBL3787161 0.77 KDM4E (0.38) PPARGGAAMIFKDM4EPPARD
SCHEMBL3787165 0.77 KDM4E (0.38) PPARGGAAMIFKDM4EPPARD

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
EP-2054411-B1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2014-08-20 EP disclosed
US-7858621-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2010-12-28 US disclosed
EP-2054411-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2009-05-06 EP disclosed
US-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-12-18 US disclosed
WO-2008013414-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2008-01-31 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-20080312234-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 PPARG 1777/4885HTT 2949/4885GAA 3479/4885

“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.