SCHEMBL10270174

SCHEMBL10270174

CC1Cn2ncc(-c3nc(-c4ccc(CNCCC(=O)O)cc4)no3)c2-c2ccncc21

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.52

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
SCHEMBL804935 0.86 S1PR1 (0.46) S1PR1
SCHEMBL804587 0.84 S1PR1 (0.46) S1PR1
SCHEMBL804599 0.83 S1PR1 (0.45) S1PR1
SCHEMBL10269631 0.83 S1PR1 (0.64) S1PR1
SCHEMBL804654 0.81 S1PR1 (0.42) S1PR1
SCHEMBL804321 0.80 S1PR1 (0.52) S1PR1
SCHEMBL804680 0.78 S1PR1 (0.48) S1PR1
SCHEMBL773291 0.78 S1PR1 (0.70) S1PR1
SCHEMBL773388 0.77 S1PR1 (0.66) S1PR1
SCHEMBL773161 0.72 S1PR1 (0.81) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 S1PR1 1/4885

“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.