SCHEMBL13601841

SCHEMBL13601841

Cc1cc(-c2nc(-c3ccc(CO)c(CO)c3)no2)c(F)cc1-c1ccsc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
S1PR1 P21453 7/20 0.43
PPARA Q07869 1/20 0.40
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR3 Q99500 4/20 0.36
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4519430 0.85 S1PR1 (0.51) PTGESALOX5S1PR1PPARACA2
SCHEMBL13601858 0.83 S1PR1 (0.44) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13601861 0.82 NPC1 (0.52) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13601869 0.82 NPC1 (0.46) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13601890 0.82 S1PR1 (0.44) PTGESALOX5S1PR1NPC1RAB9A
SCHEMBL13601599 0.78 S1PR1 (0.48) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13601875 0.78 NPC1 (0.42) S1PR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13601860 0.75 S1PR1 (0.57) S1PR1NPC1RAB9AS1PR3
SCHEMBL13609290 0.74 S1PR1 (0.38) PTGESALOX5S1PR1NPC1RAB9A
SCHEMBL13601881 0.73 ALDH1A1 (0.56) S1PR1NPC1RAB9ASMN1; SMN2MEN1

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 PTGES 1745/4885ALOX5 476/4885S1PR1 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.