SCHEMBL2579533

SCHEMBL2579533

O=C(NCc1ccc(O)cc1)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.78
CARM1 Q86X55 1/20 0.43
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2575478 0.94 S1PR1 (0.78) S1PR1CARM1HDAC4HDAC6
SCHEMBL14696473 0.92 S1PR1 (0.76) S1PR1HDAC4
SCHEMBL2576871 0.92 S1PR1 (0.76) S1PR1HDAC4
SCHEMBL14696472 0.92 S1PR1 (0.76) S1PR1HDAC4
SCHEMBL14696388 0.92 S1PR1 (0.79) S1PR1CARM1
SCHEMBL14696386 0.92 S1PR1 (0.79) S1PR1CARM1
SCHEMBL14696384 0.92 S1PR1 (0.79) S1PR1CARM1
SCHEMBL14696422 0.92 S1PR1 (0.75) S1PR1CARM1HDAC6
SCHEMBL14695473 0.90 S1PR1 (0.73) S1PR1CARM1
SCHEMBL14695476 0.90 S1PR1 (0.73) S1PR1CARM1

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-2560969-B1 4-(5-ISOXAZOLYL OR 5-PYRRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDELIC ACID AMIDES AS SPHINGOSIN-1-PHOSPHATE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP claimed
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US claimed
CN-103119038-A 4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists BRISTOL MYERS SQUIBB CO 2013-05-22 CN claimed
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 US claimed
EP-2560969-B1 4-(5-ISOXAZOLYL OR 5-PYRRAZOLYL-1,2,4-OXADIAZOL-3-YL)-MANDELIC ACID AMIDES AS SPHINGOSIN-1-PHOSPHATE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
US-8835470-B2 Mandelamide heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
CN-103119038-A 4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists BRISTOL MYERS SQUIBB CO 2013-05-22 CN disclosed
EP-2560969-A1 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2013-02-27 EP disclosed
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 US disclosed
WO-2011133734-A1 4 - (5 - ISOXAZOLYL OR 5 - PYRRAZOLYL -1,2,4- OXADIAZOL - 3 - YL) -MANDELIC ACID AMIDES AS SPHINGOSIN- 1 - PHOSPHATE 1 RRECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 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-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 S1PR1 1/4885CARM1 2266/4885HDAC4 3810/4885

“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.