SCHEMBL3312155

SCHEMBL3312155

O=C(O)c1ccc(C(F)(F)F)c2occc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.43
SLC22A12 Q96S37 2/20 0.43
CFTR P13569 1/20 0.40
ASPH Q12797 1/20 0.39
FABP4 P15090 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DAO P14920 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
CES2 O00748 2/20 0.35
CLCN2 P51788 1/20 0.34
HTR2C P28335 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.33
KMO O15229 1/20 0.33
NOTUM Q6P988 1/20 0.33
GRIK1 P39086 1/20 0.33

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
SCHEMBL28878093 0.87 XDH (0.43) XDHSLC22A12CFTRASPHFABP4
SCHEMBL29967294 0.87 XDH (0.43) XDHSLC22A12CFTRASPHFABP4
SCHEMBL1339952 0.77 XDH (0.37) XDHSLC22A12ASPHKDM4ERARA
SCHEMBL29967942 0.75 HTR2C (0.39) XDHSLC22A12CFTRFABP4ALDH1A1
SCHEMBL28878067 0.75 HTR2C (0.39) XDHSLC22A12CFTRFABP4ALDH1A1
SCHEMBL24752719 0.74 KDM4E (0.41) XDHSLC22A12ALDH1A1HPGDKDM4E
SCHEMBL1340150 0.74 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10RARA
SCHEMBL12597489 0.74 RARA (0.40) ALDH1A1HPGDKDM4EHSD17B10RARA
SCHEMBL2635958 0.73 CYP1A1 (0.43) XDHSLC22A12ASPHALDH1A1HPGD
SCHEMBL28878138 0.72 CFTR (0.44) CFTRALDH1A1HPGDKDM4EHSD17B10

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
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US claimed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US claimed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP claimed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 WO claimed
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 US disclosed
EP-2125760-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008117241-A2 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-02 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 (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-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R XDH 491/4885SLC22A12 1188/4885CFTR 2586/4885

“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.