SCHEMBL1875248

SCHEMBL1875248

C[C@H](COc1ccc2c(c1)CCC(C=O)=C2Cl)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.53
S1PR3 Q99500 11/20 0.53
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK14 Q16539 3/20 0.35

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
SCHEMBL2528521 0.92 S1PR1 (0.54) S1PR1S1PR3MAOAMAOB
SCHEMBL2528249 0.89 S1PR1 (0.61) S1PR1S1PR3MAOAMAOBMAPK14
SCHEMBL447991 0.89 S1PR1 (0.61) S1PR1S1PR3MAOAMAOBMAPK14
SCHEMBL450033 0.82 S1PR1 (0.61) S1PR1S1PR3MAOAMAOB
SCHEMBL677256 0.76 S1PR1 (0.83) S1PR1S1PR3
SCHEMBL450133 0.74 S1PR1 (0.63) S1PR1S1PR3MAOAMAOB
SCHEMBL454275 0.74 S1PR1 (0.63) S1PR1S1PR3MAOAMAOB
SCHEMBL453087 0.74 S1PR1 (0.72) S1PR1S1PR3
SCHEMBL451386 0.73 S1PR1 (0.65) S1PR1S1PR3MAOAMAOB
SCHEMBL448275 0.72 MIF (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP claimed
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-8575134-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-11-05 US disclosed
EP-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP disclosed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP disclosed
US-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-05 US disclosed
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP 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 (3 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-20110105432-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOA 1581/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOA 1581/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOA 1581/4885

“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.