SCHEMBL13601600

SCHEMBL13601600

CSc1ccccc1-c1ccc(-c2nc(-c3ccc(CO)c(CO)c3)no2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 18/20 0.49
NPC1 O15118 2/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
S1PR3 Q99500 4/20 0.44
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4498851 0.86 S1PR1 (0.56) S1PR1NPC1RAB9AS1PR3PKM
SCHEMBL13601852 0.85 S1PR1 (0.56) S1PR1NPC1RAB9AS1PR3PKM
SCHEMBL13601879 0.82 S1PR1 (0.48) S1PR1S1PR3
SCHEMBL13601853 0.82 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL13601863 0.82 S1PR1 (0.52) S1PR1NPC1RAB9AS1PR3NFKB1
SCHEMBL13601860 0.81 S1PR1 (0.57) S1PR1NPC1RAB9AS1PR3
SCHEMBL13601845 0.80 S1PR1 (0.71) S1PR1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL13601868 0.79 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL13601893 0.78 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL13601873 0.78 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 1/4885NPC1 691/4885CASP3 3826/4885

“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.