SCHEMBL1869738

SCHEMBL1869738

CCCCc1ccc(COc2ccc3c(c2)CCC(CN2CC(C(=O)O)C2)=C3C)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 1.00
S1PR5 Q9H228 2/20 0.91
S1PR4 O95977 1/20 0.91
S1PR3 Q99500 7/20 0.79

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
SCHEMBL465051 0.95 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
Hydrochloric Acid SCHEMBL465151 0.94 S1PR1 (0.98) S1PR1S1PR5S1PR4S1PR3
Water SCHEMBL465058 0.94 S1PR1 (0.98) S1PR1S1PR5S1PR4S1PR3
SCHEMBL675991 0.92 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL16143794 0.92 S1PR1 (0.84) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1873136 0.90 S1PR1 (0.89) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1874032 0.89 S1PR1 (1.00) S1PR1S1PR5S1PR4S1PR3
SCHEMBL1876194 0.88 S1PR1 (0.88) S1PR1S1PR5S1PR4S1PR3
SCHEMBL465008 0.88 S1PR1 (0.87) S1PR1S1PR5S1PR4S1PR3
SCHEMBL465156 0.88 S1PR1 (0.87) S1PR1S1PR5S1PR4S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP claimed
EP-2371811-A2 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-05 EP claimed
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
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
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 3/4885S1PR5 4/4885S1PR4 23/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR5 4/4885S1PR4 23/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR5 4/4885S1PR4 23/4885

“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.