SCHEMBL1277201

SCHEMBL1277201

Oc1cccc(Oc2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.49
CETP P11597 3/20 0.46
RAB9A P51151 1/20 0.44
LTA4H P09960 2/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
MAPK14 Q16539 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
EPHX2 P34913 2/20 0.42
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9589894 1.00 NLRP3 (0.49) NLRP3CETPRAB9ALTA4HNR1H2
SCHEMBL9589214 0.98 NLRP3 (0.48) NLRP3CETPRAB9ALTA4HNR1H2
SCHEMBL9588433 0.95 MAPK14 (0.46) NLRP3CETPRAB9ALTA4HNR1H2
SCHEMBL9588894 0.91 RAB9A (0.46) NLRP3CETPRAB9AMAPK14PTGES2
SCHEMBL9588822 0.91 RAB9A (0.46) NLRP3CETPRAB9AMAPK14PTGES2
SCHEMBL9590608 0.89 LTA4H (0.53) NLRP3CETPLTA4HNR1H2BAX
SCHEMBL29426951 0.87 NLRP3 (0.48) NLRP3CETPRAB9AALDH1A1
SCHEMBL224912 0.87 NLRP3 (0.48) NLRP3CETPRAB9AALDH1A1
SCHEMBL9589995 0.86 LTA4H (0.53) CETPLTA4HNR1H2BAXMAPK14
SCHEMBL9588167 0.86 LTA4H (0.53) CETPLTA4HNR1H2BAXMAPK14

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
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
WO-2010141809-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141809-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
US-5516767-A PRODRUG AS HYPOGLYCEMIC AGENT SANDOZ LTD. (CH) 1996-05-14 US disclosed
US-5412137-A Hypoglycemic agents SANDOZ LTD. (CH) 1995-05-02 US disclosed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 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 (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-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH NLRP3 957/4885CETP 1536/4885RAB9A 2189/4885

“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.