SCHEMBL13601872

SCHEMBL13601872

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
NR1H4 Q96RI1 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
S1PR1 P21453 10/20 0.48
ALOX15 P16050 1/20 0.48
S1PR5 Q9H228 1/20 0.48
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CASP3 P42574 1/20 0.44
S1PR3 Q99500 4/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL13601840 0.87 S1PR1 (0.52) NPC1RAB9AKDM4EGAASMN1; SMN2
SCHEMBL4498851 0.86 S1PR1 (0.56) NR1H4NPC1RAB9AKDM4EALDH1A1
SCHEMBL13601868 0.83 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL13601853 0.83 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL13601873 0.82 S1PR1 (0.49) S1PR1S1PR3
SCHEMBL13601893 0.82 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL13601888 0.82 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL13601863 0.81 S1PR1 (0.52) NPC1RAB9ASMN1; SMN2S1PR1HDAC6
SCHEMBL13601852 0.79 S1PR1 (0.56) NPC1RAB9AGAASMN1; SMN2S1PR1
SCHEMBL13601845 0.78 S1PR1 (0.71) NPSR1NPC1RAB9AKDM4EALDH1A1

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 NPSR1 73/4885NR1H4 276/4885NPC1 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.