SCHEMBL14696384

SCHEMBL14696384

O=C(NCc1ccncc1)C(O)c1ccc(-c2noc(-c3cnn(-c4ccccc4)c3C(F)(F)F)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.79
SMN1; SMN2 Q16637 1/20 0.45
CARM1 Q86X55 1/20 0.43

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
SCHEMBL14696386 1.00 S1PR1 (0.79) S1PR1SMN1; SMN2CARM1
SCHEMBL14696388 1.00 S1PR1 (0.79) S1PR1SMN1; SMN2CARM1
SCHEMBL14696016 0.92 S1PR1 (0.77) S1PR1SMN1; SMN2CARM1
SCHEMBL14696015 0.92 S1PR1 (0.77) S1PR1SMN1; SMN2CARM1
SCHEMBL2577241 0.92 S1PR1 (0.77) S1PR1SMN1; SMN2CARM1
SCHEMBL2579533 0.92 S1PR1 (0.78) S1PR1CARM1
SCHEMBL2575478 0.92 S1PR1 (0.78) S1PR1CARM1
SCHEMBL14695476 0.89 S1PR1 (0.73) S1PR1CARM1
SCHEMBL14695473 0.89 S1PR1 (0.73) S1PR1CARM1
SCHEMBL14695474 0.89 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103119038-B As 4-(5-isoxazolyl or 5-pyrazolyl-1,2, the 4-oxadiazolyl-3-yl) mandelic acidamide of S1P 1 receptor stimulating agent BRISTOL-MYERS SQUIBB CO. (US) 2016-05-04 CN 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 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
US-20130045964-A1 MANDELAMIDE HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2013-02-21 US 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 1/4885SMN1; SMN2 1302/4885CARM1 2266/4885

“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.