SCHEMBL13601423

SCHEMBL13601423

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@H](C(=O)O)C3)C4)no2)c(F)cc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.36
S1PR3 Q99500 4/20 0.35
S1PR4 O95977 1/20 0.35
S1PR5 Q9H228 1/20 0.35
MAP4K4 O95819 1/20 0.35
MINK1 Q8N4C8 1/20 0.35

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
SCHEMBL13601400 0.93 S1PR1 (0.41) S1PR1NPC1RAB9AS1PR3S1PR4
SCHEMBL13601429 0.91 S1PR1 (0.39) S1PR1NPC1RAB9AKMT2AMEN1
SCHEMBL13601416 0.90 PTGES (0.42) S1PR1S1PR3S1PR4S1PR5MAP4K4
SCHEMBL13601420 0.89 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR5MAP4K4
SCHEMBL13601419 0.89 S1PR1 (0.39) S1PR1S1PR3S1PR4S1PR5MAP4K4
SCHEMBL13601900 0.89 S1PR1 (0.39) S1PR1NPC1RAB9A
SCHEMBL13608470 0.89 S1PR1 (0.39) S1PR1NPC1RAB9A
SCHEMBL13608879 0.88 MAOA (0.44) S1PR1NPC1RAB9AKMT2AMEN1
SCHEMBL13601901 0.88 MAOA (0.44) S1PR1NPC1RAB9AKMT2AMEN1
SCHEMBL13601427 0.88 NPC1 (0.45) S1PR1NPC1RAB9AKMT2AMEN1

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 1/4885NPC1 691/4885RAB9A 3060/4885

“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.