SCHEMBL5698611

SCHEMBL5698611

COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S)cc2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.72
PTGS1 P23219 11/20 0.72
ALDH1A1 P00352 2/20 0.72
ABCB11 O95342 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7113291 0.89 PTGS2 (0.66) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL8639053 0.88 PTGS2 (0.71) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
SCHEMBL8657613 0.87 PTGS2 (0.56) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
Hydrogen Sulfide SCHEMBL27507738 0.87 PTGS2 (0.70) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
SCHEMBL8325061 0.85 PTGS2 (0.71) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
Deracoxib SCHEMBL24645 0.84 PTGS2 (1.00) PTGS2PTGS1ALDH1A1ABCB11
Deracoxib SCHEMBL29593653 0.84 PTGS2 (1.00) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL8286969 0.84 PTGS2 (0.71) PTGS2PTGS1ALDH1A1ABCB11
Deracoxib SCHEMBL6601340 0.83 PTGS2 (0.98) PTGS2PTGS1ALDH1A1ABCB11
Deracoxib SCHEMBL28723602 0.83 PTGS2 (0.98) PTGS2PTGS1ALDH1A1ABCB11

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
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20090137600-A1 Antiplatelet agent and process for producing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 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-20090137600-A1 Antiplatelet agent and process for producing the same PFKP, GP6, PF4 PTGS2 34/4885PTGS1 25/4885ALDH1A1 573/4885

“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.