SCHEMBL2850104

SCHEMBL2850104

COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccncc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.85
PTGS1 P23219 7/20 0.85
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
CYP2C9 P11712 1/20 0.75
TSHR P16473 1/20 0.75
CYP2C19 P33261 1/20 0.75
THPO P40225 1/20 0.75
BLM P54132 1/20 0.75
PMP22 Q01453 1/20 0.75
HIF1A Q16665 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
PTGER1 P34995 1/20 0.55

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
SCHEMBL7112386 0.92 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL14747811 0.88 PTGS2 (0.87) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
Sc-560 SCHEMBL676921 0.86 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7113069 0.86 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL6266112 0.86 PTGS2 (0.87) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5148900 0.86 PTGS2 (0.87) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL8292733 0.86 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5148973 0.86 PTGS2 (0.87) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5147944 0.83 PTGS2 (0.81) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5148706 0.83 PTGS2 (0.81) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 PTGS2 2349/4885PTGS1 1656/4885CYP1A2 1009/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 PTGS2 2629/4885PTGS1 795/4885CYP1A2 748/4885

“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.