SCHEMBL13601400

SCHEMBL13601400

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@H](C(=O)O)C3)C4)no2)c(F)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.41
MAOA P21397 1/20 0.41
BLVRB P30043 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
S1PR4 O95977 2/20 0.40
S1PR5 Q9H228 2/20 0.40
S1PR3 Q99500 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL13601900 0.93 S1PR1 (0.39) S1PR1MAOABLVRBHDAC6NPC1
SCHEMBL13608470 0.93 S1PR1 (0.39) S1PR1MAOABLVRBHDAC6NPC1
SCHEMBL13601423 0.93 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3NPC1
SCHEMBL13601901 0.93 MAOA (0.44) S1PR1MAOABLVRBHDAC6S1PR4
SCHEMBL13608879 0.93 MAOA (0.44) S1PR1MAOABLVRBHDAC6S1PR4
SCHEMBL13608881 0.91 MAOA (0.41) S1PR1MAOABLVRBHDAC6S1PR4
SCHEMBL13601907 0.91 MAOA (0.41) S1PR1MAOABLVRBHDAC6S1PR4
SCHEMBL13601419 0.90 S1PR1 (0.39) S1PR1MAOABLVRBHDAC6S1PR4
SCHEMBL13601433 0.90 S1PR1 (0.49) S1PR1MAOABLVRBHDAC6S1PR4
SCHEMBL13601602 0.90 S1PR1 (0.49) S1PR1MAOABLVRBHDAC6S1PR4

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 1/4885MAOA 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.