SCHEMBL13601840

SCHEMBL13601840

Cc1cc(-c2nc(-c3ccc(CO)c(CO)c3)no2)ccc1-c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.52
TP53 P04637 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GRM5 P41594 1/20 0.44
S1PR3 Q99500 5/20 0.43
CA4 P22748 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL4498851 0.89 S1PR1 (0.56) S1PR1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13601849 0.88 RAB9A (0.49) S1PR1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13601858 0.88 S1PR1 (0.44) S1PR1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13601872 0.87 NPSR1 (0.55) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601863 0.85 S1PR1 (0.52) S1PR1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13601864 0.85 S1PR1 (0.57) S1PR1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13601852 0.84 S1PR1 (0.56) S1PR1NPC1RAB9ASMN1; SMN2S1PR3
SCHEMBL13601886 0.83 S1PR1 (0.52) S1PR1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13601868 0.82 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL13601873 0.81 S1PR1 (0.49) 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 1/4885TP53 3116/4885NPC1 691/4885

“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.