SCHEMBL13601599

SCHEMBL13601599

Cc1cc(-c2nc(-c3ccc(CO)c(CO)c3)no2)c(F)cc1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.48
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
S1PR3 Q99500 3/20 0.41
CHUK O15111 1/20 0.40
TXNRD1 Q16881 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL13601861 0.89 NPC1 (0.52) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL13601875 0.88 NPC1 (0.42) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL13601853 0.87 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL13601869 0.86 NPC1 (0.46) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL13601890 0.82 S1PR1 (0.44) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL13601868 0.82 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL13601858 0.81 S1PR1 (0.44) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL13601841 0.78 PTGES (0.51) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL13601852 0.78 S1PR1 (0.56) S1PR1MEN1NPC1NFKB1RAB9A
SCHEMBL24713454 0.78 S1PR1 (0.70) 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 1/4885MEN1 1035/4885NPC1 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.