SCHEMBL662950

SCHEMBL662950

CCOC(=O)C(CNC(=O)OC(C)(C)C)Cc1ccc(OCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
EPHX2 P34913 6/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 2/20 0.41
SYK P43405 1/20 0.40
SUCNR1 Q9BXA5 5/20 0.40
PTPN1 P18031 1/20 0.38

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
SCHEMBL663785 0.88 ITGB3 (0.52) ITGB3ITGA2BCA12CA1CA2
SCHEMBL17592938 0.84 CTSS (0.49) CA12CA1CA2CA9EPHX2
SCHEMBL1185840 0.83 SYK (0.57) EPHX2PPARGPPARASYK
SCHEMBL1826658 0.83 PPARG (0.44) CA12CA1CA2CA9EPHX2
SCHEMBL6715192 0.82 CA12 (0.52) ITGB3ITGA2BCA12CA1CA2
SCHEMBL2799915 0.81 EPHX2 (0.59) EPHX2PPARGPPARASYK
Trifluoroacetic Acid SCHEMBL7348672 0.79 SYK (0.53) EPHX2PPARGSYK
SCHEMBL1826974 0.79 P2RX7 (0.49) CA12CA1CA2CA9EPHX2
SCHEMBL3574216 0.79 P2RX7 (0.47) EPHX2PPARGPPARASYK
SCHEMBL6716371 0.78 PTGES (0.55) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 ITGB3 4495/4885ITGA2B 4623/4885CA12 4300/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT ITGB3 4617/4885ITGA2B 4480/4885CA12 4446/4885

“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.