SCHEMBL13601398

SCHEMBL13601398

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@H](C(=O)O)C3)C4)no2)ccc1-c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.43
GRM5 P41594 6/20 0.40
S1PR3 Q99500 1/20 0.40
TP53 P04637 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL13608820 1.00 S1PR1 (0.43) S1PR1GRM5S1PR3TP53S1PR4
SCHEMBL13601397 0.91 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13608721 0.91 GRM5 (0.41) S1PR1GRM5TP53NPC1RAB9A
SCHEMBL13601409 0.91 GRM5 (0.41) S1PR1GRM5TP53NPC1RAB9A
Hydrochloric Acid SCHEMBL4513566 0.91 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13608470 0.90 S1PR1 (0.39) S1PR1GRM5NPC1RAB9A
SCHEMBL13601900 0.90 S1PR1 (0.39) S1PR1GRM5NPC1RAB9A
SCHEMBL13608785 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL13601910 0.90 S1PR1 (0.47) S1PR1S1PR3S1PR4S1PR5NPC1
SCHEMBL13601824 0.89 S1PR1 (0.49) 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 1 patent. 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

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 1/4885GRM5 1282/4885S1PR3 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.