SCHEMBL1725916

SCHEMBL1725916

CC1CCCCN1c1ccc(-c2nc(-c3ccnc(CN(C)CC(=O)O)c3)no2)cc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.65
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL1725070 0.94 S1PR1 (0.66) S1PR1TP53
SCHEMBL1727081 0.92 S1PR1 (0.57) S1PR1TP53POLB
SCHEMBL15905741 0.91 S1PR1 (0.54) S1PR1TP53POLB
SCHEMBL410118 0.88 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL410308 0.88 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL408735 0.88 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL405552 0.88 S1PR1 (0.65) S1PR1TP53POLB
SCHEMBL1724940 0.88 S1PR1 (0.66) S1PR1TP53POLB
SCHEMBL409408 0.86 S1PR1 (0.64) S1PR1TP53
SCHEMBL441702 0.86 S1PR1 (0.63) S1PR1TP53POLB

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
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 S1PR1 1/4885TP53 4853/4885POLB 4416/4885

“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.