SCHEMBL13601910

SCHEMBL13601910

Cc1cc(-c2nc(-c3ccc4c(c3)CN([C@H]3C[C@H](C(=O)O)C3)C4)no2)ccc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.47
NPSR1 Q6W5P4 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
S1PR5 Q9H228 3/20 0.41
S1PR3 Q99500 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALOX15 P16050 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
SCHEMBL13608785 1.00 S1PR1 (0.47) S1PR1NPSR1NR1H4NPC1RAB9A
SCHEMBL13601410 0.91 NR1H4 (0.44) S1PR1NPSR1NR1H4NPC1RAB9A
SCHEMBL13608820 0.90 S1PR1 (0.43) S1PR1NPC1RAB9AS1PR5S1PR3
SCHEMBL13601398 0.90 S1PR1 (0.43) S1PR1NPC1RAB9AS1PR5S1PR3
SCHEMBL13601397 0.89 S1PR1 (0.46) S1PR1NR1H4S1PR5S1PR3S1PR4
Hydrochloric Acid SCHEMBL4513566 0.88 S1PR1 (0.46) S1PR1NR1H4S1PR5S1PR3S1PR4
SCHEMBL13601831 0.88 S1PR1 (0.46) S1PR1S1PR5S1PR3S1PR4CYP2C9
SCHEMBL13601906 0.87 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL13609293 0.87 S1PR1 (0.53) S1PR1S1PR5S1PR3
SCHEMBL13601404 0.86 S1PR1 (0.58) S1PR1S1PR5S1PR3

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 1 patent. 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

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 1/4885NPSR1 73/4885NR1H4 276/4885

“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.