SCHEMBL2833695

SCHEMBL2833695

COc1cc([C@H]2CC[C@@H](C(=O)O)N2C(=O)O)ccc1OCc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
SCN3A Q9NY46 1/20 0.57
FFAR2 O15552 11/20 0.52
PRMT5 O14744 1/20 0.45
TRPC6 Q9Y210 2/20 0.44
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL483272 0.89 KCNH2 (0.59) KCNH2SCN3AFFAR2PRMT5TRPC6
SCHEMBL2837773 0.83 KCNH2 (0.66) KCNH2SCN3AFFAR2
SCHEMBL1104551 0.81 KCNH2 (0.51) KCNH2SCN3AFFAR2PRMT5TRPC6
SCHEMBL2833224 0.80 KCNH2 (0.57) KCNH2SCN3APRMT5TRPC6S1PR1
SCHEMBL2839989 0.78 KCNH2 (0.54) KCNH2SCN3APRMT5TRPC6S1PR1
SCHEMBL2835713 0.78 KCNH2 (0.61) KCNH2SCN3APRMT5TRPC6ALDH1A1
SCHEMBL2836952 0.77 KCNH2 (0.83) KCNH2SCN3APRMT5TRPC6S1PR1
SCHEMBL2837757 0.77 KCNH2 (0.55) KCNH2SCN3APRMT5TRPC6S1PR1
SCHEMBL2836386 0.77 KCNH2 (0.58) KCNH2SCN3AFFAR2
SCHEMBL2832640 0.77 KCNH2 (0.63) KCNH2SCN3AFFAR2

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-20100324022-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 US disclosed
US-7803833-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-09-28 US disclosed
US-20080293753-A1 Novel Compounds Convergence Pharmaceuticals Limited (GB) 2008-11-27 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-20100324022-A1 NOVEL COMPOUNDS CYP46A1, NPC1, CYP11B1 KCNH2 3260/4885SCN3A 2696/4885FFAR2 1237/4885
US-20080293753-A1 Novel Compounds CACNA1E, CACNA1A, SCN1B KCNH2 15/4885SCN3A 11/4885FFAR2 1216/4885

“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.