SCHEMBL14926832

SCHEMBL14926832

COCc1cc(-c2nc(-c3ccc(C(C)NCC(=O)O)cc3)no2)ccc1-c1ccccc1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 17/20 0.66
S1PR3 Q99500 2/20 0.66
NR1H4 Q96RI1 2/20 0.43
TPH1 P17752 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
SCHEMBL10207188 1.00 S1PR1 (0.66) S1PR1S1PR3NR1H4TPH1
SCHEMBL10206971 1.00 S1PR1 (0.66) S1PR1S1PR3NR1H4TPH1
SCHEMBL320308 0.90 S1PR1 (0.58) S1PR1S1PR3NR1H4
SCHEMBL320337 0.90 S1PR1 (0.58) S1PR1S1PR3NR1H4
SCHEMBL13187244 0.89 S1PR1 (0.64) S1PR1S1PR3NR1H4
SCHEMBL10207199 0.88 S1PR1 (0.64) S1PR1S1PR3NR1H4TPH1
SCHEMBL10206974 0.88 S1PR1 (0.64) S1PR1S1PR3NR1H4TPH1
SCHEMBL320437 0.86 S1PR1 (0.62) S1PR1S1PR3NR1H4
SCHEMBL319840 0.86 S1PR1 (0.62) S1PR1S1PR3NR1H4
SCHEMBL409708 0.84 S1PR1 (0.69) S1PR1S1PR3NR1H4TPH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 US disclosed
US-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS MERCK SERONO S.A. (CH) 2013-05-09 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-20130116289-A1 5-(BIPHENYL-4-YL)-3-PHENYL-1,2,4-OXADIAZOLYL DERIVATIVES AS LIGANDS ON THE SPHINGOSINE 1-PHOSPHATE(SIP)RECEPTORS S1PR1, S1PR5, S1PR2 S1PR1 1/4885S1PR3 4/4885NR1H4 370/4885

“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.