SCHEMBL13601852

SCHEMBL13601852

Cc1cc(-c2nc(-c3ccc(CO)c(CO)c3)no2)ccc1-c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
S1PR3 Q99500 2/20 0.50
MEN1 O00255 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
KMT2A Q03164 2/20 0.50
RELA Q04206 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.46
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOA P21397 1/20 0.45
BLVRB P30043 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL13601863 0.93 S1PR1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601861 0.88 NPC1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601864 0.88 S1PR1 (0.57) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601873 0.88 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL4498851 0.88 S1PR1 (0.56) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601853 0.86 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL13601886 0.86 S1PR1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601600 0.85 S1PR1 (0.49) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601868 0.85 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL13601879 0.84 S1PR1 (0.48) 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 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.