SCHEMBL13601440

SCHEMBL13601440

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@@H](C(=O)O)C3)C4)no2)ccc1-c1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
S1PR1 P21453 16/20 0.42
S1PR3 Q99500 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR5 Q9H228 3/20 0.39
S1PR4 O95977 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
SCHEMBL13601427 1.00 NPC1 (0.45) NPC1RAB9AS1PR1S1PR3MEN1
SCHEMBL13601397 0.93 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
Hydrochloric Acid SCHEMBL4513566 0.92 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL13601425 0.90 NPC1 (0.43) NPC1RAB9AS1PR1S1PR3MEN1
SCHEMBL13601434 0.89 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4
SCHEMBL13601411 0.89 S1PR1 (0.42) S1PR1S1PR3S1PR5S1PR4
SCHEMBL13601414 0.89 S1PR1 (0.46) S1PR1S1PR3S1PR5S1PR4
SCHEMBL13601428 0.88 S1PR1 (0.44) NPC1RAB9AS1PR1S1PR3S1PR5
SCHEMBL13601423 0.88 S1PR1 (0.40) NPC1RAB9AS1PR1S1PR3MEN1
SCHEMBL13601422 0.88 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4

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 NPC1 691/4885RAB9A 3060/4885S1PR1 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.