SCHEMBL954517

SCHEMBL954517

CCCCOc1cc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
HSD17B10 Q99714 2/20 0.62
USP2 O75604 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.57
PPARD Q03181 15/20 0.54
PPARA Q07869 11/20 0.54
LIPC P11150 1/20 0.51
LIPG Q9Y5X9 1/20 0.51
PPARG P37231 4/20 0.48

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
SCHEMBL20472335 0.97 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL957682 0.94 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL954464 0.88 HSD17B10 (0.66) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL12630099 0.86 CFTR (0.57) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL953081 0.86 PTGDR2 (0.55) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL20472219 0.85 PTGDR2 (0.51) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3784235 0.83 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3062695 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2924380 0.82 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL955308 0.81 PTGDR2 (0.48) KDM4EALDH1A1HPGDHSD17B10USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101925575-B Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanillic acid receptor antagonist AMOREPACIFIC CORP 2014-06-18 CN disclosed
EP-2238105-B1 NOVEL COMPOUNDS AS VANILLOID RECEPTOR ANTAGONISTS AMOREPACIFIC CORP (KR) 2014-04-16 EP disclosed
US-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2014-01-09 US disclosed
US-8557872-B2 Compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same AMOREPACIFIC CORPORATION (KR) 2013-10-15 US disclosed
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-01-20 US disclosed
CN-101925575-A Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist AMOREPACIFIC CORP 2010-12-22 CN disclosed
EP-2238105-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2010-10-13 EP disclosed
WO-2009096701-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2009-08-06 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-20140011881-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 KDM4E 4650/4885ALDH1A1 787/4885HPGD 719/4885
US-20110015230-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 KDM4E 4650/4885ALDH1A1 787/4885HPGD 719/4885

“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.