SCHEMBL13627353

SCHEMBL13627353

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.66
▸ PTGS1 P23219 12/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8325061 0.88 PTGS2 (0.71) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
SCHEMBL14280460 0.83 PTGS2 (0.60) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL5698611 0.82 PTGS2 (0.72) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
SCHEMBL8639053 0.82 PTGS2 (0.71) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
SCHEMBL14278140 0.81 PTGS2 (0.60) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
Hydrogen Sulfide SCHEMBL27507738 0.81 PTGS2 (0.70) PTGS2PTGS1ALDH1A1ABCB11SMN1; SMN2
Deracoxib SCHEMBL24645 0.80 PTGS2 (1.00) PTGS2PTGS1ALDH1A1ABCB11
Deracoxib SCHEMBL29593653 0.80 PTGS2 (1.00) PTGS2PTGS1ALDH1A1ABCB11
SCHEMBL8286969 0.80 PTGS2 (0.71) PTGS2PTGS1ALDH1A1ABCB11
Deracoxib SCHEMBL28723602 0.79 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
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 — — US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 — — 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 (4 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 PTGS2 4/4885PTGS1 2/4885ALDH1A1 111/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 PTGS2 2158/4885PTGS1 1600/4885ALDH1A1 248/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 PTGS2 4/4885PTGS1 2/4885ALDH1A1 171/4885
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.

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