SCHEMBL448481

SCHEMBL448481

CC1=C(C=O)CCc2cc(OCCCc3ccc(F)cc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.59
S1PR3 Q99500 11/20 0.59
MAOB P27338 6/20 0.46
MAOA P21397 4/20 0.46

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
SCHEMBL1876268 0.89 S1PR1 (0.47) S1PR1S1PR3MAOBMAOA
SCHEMBL27642474 0.83 S1PR1 (0.59) S1PR1S1PR3MAOBMAOA
SCHEMBL447991 0.82 S1PR1 (0.61) S1PR1S1PR3MAOBMAOA
SCHEMBL2528249 0.82 S1PR1 (0.61) S1PR1S1PR3MAOBMAOA
SCHEMBL450689 0.80 S1PR1 (0.61) S1PR1S1PR3MAOBMAOA
SCHEMBL948040 0.79 MAOB (0.61) S1PR1S1PR3MAOBMAOA
SCHEMBL450942 0.75 MAOB (0.56) S1PR1MAOBMAOA
SCHEMBL465136 0.74 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL316466 0.74 CYP26A1 (0.48)
Hydrochloric Acid SCHEMBL949109 0.74 S1PR1 (1.00) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-B1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO (JP) 2019-09-25 EP disclosed
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP disclosed
EP-2592066-B1 Aminocarboxylic acid derivative and medical use thereof ONO PHARMACEUTICAL CO (JP) 2014-12-03 EP disclosed
EP-2371811-B1 Azetidinecarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO (JP) 2014-10-08 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US 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
US-7906549-B2 Aminocarboxylic acid derivative and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1826197-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-29 EP disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 EP disclosed
CN-1874991-A Compounds capable of binding to the S1P receptor and pharmaceutical uses thereof ONO PHARMACEUTICAL CO (JP) 2006-12-06 CN disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (6 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885MAOB 2492/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885MAOB 2689/4885
US-20140023636-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOB 1836/4885
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 S1PR1 1/4885S1PR3 3/4885MAOB 2137/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885MAOB 2689/4885
US-20090275554-A1 AMINOCARBOXYLIC ACID DERIVATIVE AND MEDICINAL USE THEREOF EDNRA, EDNRB, S1PR1 S1PR1 3/4885S1PR3 15/4885MAOB 1836/4885

“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.