SCHEMBL139409

SCHEMBL139409

C[C@H](Nc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c(C#N)c2)cc1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
GCGR P47871 4/20 0.42
GCG P01275 1/20 0.36

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
SCHEMBL12951728 0.93 GCGR (0.42) ROCK2ROCK1GCGR
SCHEMBL12951699 0.91 GCGR (0.47) ROCK2ROCK1GCGR
SCHEMBL139787 0.84 GCGR (0.61) ROCK2ROCK1GCGRGCG
SCHEMBL141633 0.84 GCGR (0.61) ROCK2ROCK1GCGRGCG
SCHEMBL3974756 0.79 GCGR (0.46) GCGR
SCHEMBL138764 0.78 GCGR (0.61) GCGR
SCHEMBL143135 0.78 GCGR (0.61) GCGR
SCHEMBL139061 0.77 GCGR (0.58) GCGR
SCHEMBL3975285 0.77 GCGR (0.38) GCGR
SCHEMBL3984996 0.77 GCGR (0.45) GCGR

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-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010131669-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2010-11-18 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-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 ROCK2 3334/4885ROCK1 3176/4885GCGR 4122/4885

“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.