SCHEMBL13601827

SCHEMBL13601827

COc1cccc(-c2ccc(-c3nc(-c4ccc5c(c4)CN(C4CC(C(=O)O)C4)C5)no3)cc2C)c1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.49
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
S1PR3 Q99500 3/20 0.41
S1PR5 Q9H228 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
SCHEMBL13601824 0.91 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL13608781 0.90 S1PR1 (0.46) S1PR1NPC1RAB9AS1PR3S1PR5
SCHEMBL13601902 0.90 S1PR1 (0.46) S1PR1NPC1RAB9AS1PR3S1PR5
SCHEMBL13601823 0.90 S1PR1 (0.46) S1PR1S1PR3S1PR5
SCHEMBL13608776 0.88 S1PR1 (0.51) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601432 0.88 S1PR1 (0.51) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601399 0.88 S1PR1 (0.51) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13609293 0.88 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL13601906 0.88 S1PR1 (0.53) S1PR1S1PR3S1PR5
SCHEMBL13601402 0.87 S1PR1 (0.57) S1PR1S1PR3S1PR5

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 1/4885KDM4E 3224/4885NPC1 691/4885

“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.