SCHEMBL1873550

SCHEMBL1873550

CC(C)(C)OC(=O)CCN1CCCC(=Cc2ccc(OCCCc3ccccc3)cc2)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.78
S1PR3 Q99500 3/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
AKR1B1 P15121 3/20 0.42
HPGD P15428 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 3/20 0.40
FFAR1 O14842 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 1/20 0.40
NPY1R P25929 1/20 0.39

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
SCHEMBL1873549 1.00 S1PR1 (0.78) S1PR1S1PR3PPARGPPARASMN1; SMN2
Hydrochloric Acid SCHEMBL949740 0.87 S1PR1 (0.98) S1PR1S1PR3SMN1; SMN2ALDH1A1AKR1B1
Hydrochloric Acid SCHEMBL947057 0.87 S1PR1 (0.98) S1PR1S1PR3SMN1; SMN2ALDH1A1AKR1B1
Hydrochloric Acid SCHEMBL947056 0.87 S1PR1 (0.98) S1PR1S1PR3SMN1; SMN2ALDH1A1AKR1B1
SCHEMBL1870175 0.73 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL1438060 0.73 S1PR1 (0.55) S1PR1S1PR3SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1438123 0.71 S1PR1 (0.52) S1PR1S1PR3ALDH1A1KDM4EFFAR1
SCHEMBL1882982 0.71 S1PR1 (0.59) S1PR1S1PR3PPARGPPARA
SCHEMBL1438133 0.69 S1PR1 (0.48) S1PR1S1PR3PPARGALDH1A1KDM4E
SCHEMBL325843 0.68 S1PR5 (0.79) S1PR1S1PR3

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-2592066-A1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-05-15 EP claimed
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 15/4885PPARG 1967/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885PPARG 1967/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885PPARG 1967/4885

“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.