SCHEMBL13601824

SCHEMBL13601824

Cc1cc(-c2nc(-c3ccc4c(c3)CN(C3CC(C(=O)O)C3)C4)no2)ccc1-c1cccc(C)c1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.49
NR1H4 Q96RI1 2/20 0.41
S1PR3 Q99500 4/20 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
SCHEMBL13608781 0.94 S1PR1 (0.46) S1PR1NR1H4S1PR3
SCHEMBL13601902 0.94 S1PR1 (0.46) S1PR1NR1H4S1PR3
SCHEMBL13601823 0.93 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL13601399 0.92 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL13608776 0.92 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL13601432 0.92 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL13609293 0.91 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL13601906 0.91 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL13601827 0.91 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL13601398 0.89 S1PR1 (0.43) S1PR1S1PR3

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 S1PR1 1/4885NR1H4 276/4885S1PR3 4/4885

“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.