SCHEMBL13601432

SCHEMBL13601432

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@@H](C(=O)O)C3)C4)no2)ccc1-c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.51
MAOA P21397 1/20 0.43
BLVRB P30043 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
S1PR3 Q99500 2/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
S1PR4 O95977 1/20 0.40
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
SCHEMBL13601399 1.00 S1PR1 (0.51) S1PR1MAOABLVRBHDAC6S1PR3
SCHEMBL13608776 1.00 S1PR1 (0.51) S1PR1MAOABLVRBHDAC6S1PR3
SCHEMBL13608781 0.94 S1PR1 (0.46) S1PR1MAOABLVRBHDAC6S1PR3
SCHEMBL13601902 0.94 S1PR1 (0.46) S1PR1MAOABLVRBHDAC6S1PR3
SCHEMBL13601835 0.93 S1PR1 (0.46) S1PR1MAOABLVRBHDAC6S1PR3
SCHEMBL13601412 0.92 S1PR1 (0.43) S1PR1MAOABLVRBHDAC6S1PR3
SCHEMBL13601824 0.92 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL13601901 0.91 MAOA (0.44) S1PR1MAOABLVRBHDAC6NPC1
SCHEMBL13601903 0.91 S1PR1 (0.43) S1PR1S1PR3S1PR4S1PR5
SCHEMBL13608879 0.91 MAOA (0.44) S1PR1MAOABLVRBHDAC6NPC1

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 1/4885MAOA 4558/4885BLVRB 3742/4885

“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.