SCHEMBL2059308

SCHEMBL2059308

CNC(=O)c1cc(O)cc(C(=O)OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.70
▸ CA1 P00915 5/20 0.70
▸ CA2 P00918 5/20 0.70
▸ CA7 P43166 5/20 0.70
▸ CA9 Q16790 5/20 0.70
▸ CA14 Q9ULX7 5/20 0.70
▸ KDM4E B2RXH2 4/20 0.52
▸ XDH P47989 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ FUT7 Q11130 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.44
▸ PLK1 P53350 1/20 0.44

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
SCHEMBL27908270 0.92 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL46504 0.88 CA12 (0.91) CA12CA1CA2CA7CA9
Methyl 3,5-Dihydroxybenzoate SCHEMBL38869 0.83 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL16410313 0.83 NOTUM (0.56) CA12CA1CA2CA7CA9
SCHEMBL2367491 0.83 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3487770 0.83 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL29730823 0.83 NOTUM (0.56) CA12CA1CA2CA7CA9
SCHEMBL5483893 0.80 NOTUM (0.45) CA12CA1CA2CA7CA9
SCHEMBL31455886 0.80 CA12 (0.76) CA12CA1CA2CA7CA9
SCHEMBL1174380 0.80 CA12 (0.76) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 — — US disclosed
US-7968733-B2 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2011-06-28 — — US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 — — US disclosed
US-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof GIFU UNIVERSITY (JP) 2009-12-10 — — US disclosed
EP-2058301-A1 PYRROLIDINE ANALOGUE FOR PREVENTING NEUROGENIC PAIN AND METHOD FOR PRODUCTION THEREOF Gifu University (JP) 2009-05-13 — — EP disclosed
CN-1902182-A Macrocyclic lactams and pharmaceutical use thereof NOVARTIS AG (CH) 2007-01-24 — — CN 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-20090306407-A1 Pyrrolidine analogue for preventing neurogenic pain and method for production thereof HNMT, OPRK1, OPRL1 CA12 4631/4885CA1 2676/4885CA2 1347/4885

“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.

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