SCHEMBL4435982

SCHEMBL4435982

[CH2]/C(=C(/CO[Si](C)(C)C(C)(C)C)c1ccc(F)c(F)c1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.40
PTGS1 P23219 3/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ESR2 Q92731 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
SCHEMBL4435987 1.00 PTGS2 (0.40) PTGS2PTGS1LMNAMAPTESR2
SCHEMBL3480240 0.87 PTGS2 (0.40) PTGS2PTGS1ESR2
SCHEMBL4423118 0.87 PTGS2 (0.40) PTGS2PTGS1ESR2
SCHEMBL3480237 0.87 PTGS2 (0.40) PTGS2PTGS1ESR2
SCHEMBL3480330 0.84 PTGS2 (0.40) PTGS2LMNAMAPTESR2
SCHEMBL3480327 0.84 PTGS2 (0.40) PTGS2LMNAMAPTESR2
SCHEMBL3480407 0.79 PTGS2 (0.36) PTGS2LMNAMAPTESR2
SCHEMBL3480411 0.79 PTGS2 (0.36) PTGS2LMNAMAPTESR2
SCHEMBL4435494 0.79 PTGS2 (0.48) PTGS2PTGS1ESR2
SCHEMBL4435487 0.79 PTGS2 (0.48) PTGS2PTGS1ESR2

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-7495029-B2 Prodrugs of (2R)-2-propyloctanoic acid for the treatment of stroke MERCK & CO., INC (US) 2009-02-24 US disclosed
US-20080132488-A1 Prodrugs of (2R)-2-Propyloctanoic Acid For the Treatment of Stroke ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-05 US disclosed
EP-1814838-A2 PRODRUGS OF (2R)-2-PROPYLOCTANOIC ACID FOR TREATMENT OF STROKE Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006055381-A2 PRODRUGS OF (2R)-2-PROPYLOCTANOIC ACID FOR TREATMENT OF STROKE MERCK & CO., INC. (US) 2006-05-26 WO disclosed
WO-2006044230-A1 WATER SOLUBLE PRODRUGS OF COX-2 INHIBITORS MERCK & CO., INC. (US) 2006-04-27 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-20080132488-A1 Prodrugs of (2R)-2-Propyloctanoic Acid For the Treatment of Stroke APEH, HCAR2, PTGDR PTGS2 12/4885PTGS1 43/4885LMNA 3415/4885

“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.