SCHEMBL4808718

SCHEMBL4808718

Cc1cc2c(cc1COS(C)(=O)=O)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.40
PBRM1 Q86U86 1/20 0.36
HSD17B1 P14061 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL4815186 0.81 PTGS2 (0.41) PTGS2PBRM1HSD17B1MAOAMAOB
SCHEMBL4814288 0.75 PBRM1 (0.47) PTGS2PBRM1MAOAMAOB
SCHEMBL4816161 0.75 MAOB (0.46) HSD17B1MAOAMAOB
SCHEMBL4814033 0.74 HSD17B1 (0.42) PTGS2PBRM1HSD17B1MAOAMAOB
SCHEMBL1273997 0.71 PBRM1 (0.47) PTGS2PBRM1HSD17B1PTGS1
SCHEMBL4817719 0.71 MAOA (0.32) MAOAMAOB
SCHEMBL4813809 0.71
SCHEMBL866242 0.68 HSD17B1 (0.51) PTGS2PBRM1HSD17B1MAOBPTGS1
SCHEMBL4814155 0.68 SMN1; SMN2 (0.45)
SCHEMBL4811875 0.67 PBRM1 (0.41) PTGS2PBRM1MAOAMAOB

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 PTGS2 1985/4885PBRM1 988/4885HSD17B1 3698/4885

“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.