SCHEMBL663785

SCHEMBL663785

CC(C)(C)OC(=O)NCC(Cc1ccc(OCCO)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
SUCNR1 Q9BXA5 6/20 0.46
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
PTPN1 P18031 2/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
BCL2 P10415 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
PPARD Q03181 1/20 0.40

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
SCHEMBL662950 0.88 ITGB3 (0.44) ITGB3ITGA2BSUCNR1CA12CA1
SCHEMBL16798417 0.85 LDHA (0.52) ITGB3ITGA2BMEN1GAAKMT2A
SCHEMBL3825012 0.82 ATM (0.55) CA12CA1MEN1GAAKMT2A
SCHEMBL1186455 0.82 ATM (0.55) CA12CA1MEN1GAAKMT2A
SCHEMBL825959 0.82 ATM (0.55) CA12CA1MEN1GAAKMT2A
SCHEMBL2799300 0.82 GAA (0.50) MEN1GAAKMT2APPARGPPARA
SCHEMBL2799041 0.82 GAA (0.50) MEN1GAAKMT2APPARGPPARA
SCHEMBL3697318 0.82 CTSS (0.56) MEN1GAAKMT2ACTSSCTSK
SCHEMBL12101475 0.82 MEN1 (0.47) ITGB3ITGA2BCA2MEN1GAA
SCHEMBL16798329 0.82 CTSS (0.56) ITGB3ITGA2BMEN1GAAKMT2A

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 4623/4885SUCNR1 2737/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT ITGB3 4617/4885ITGA2B 4480/4885SUCNR1 2155/4885

“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.