SCHEMBL13601410

SCHEMBL13601410

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
S1PR1 P21453 10/20 0.43
S1PR4 O95977 1/20 0.41
CYP2C9 P11712 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NPC1 O15118 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
SCHEMBL13608785 0.91 S1PR1 (0.47) NR1H4NPSR1MAPTKDM4EALDH1A1
SCHEMBL13601910 0.91 S1PR1 (0.47) NR1H4NPSR1MAPTKDM4EALDH1A1
SCHEMBL13601409 0.89 GRM5 (0.41) SMN1; SMN2S1PR1NPC1RAB9A
SCHEMBL13608721 0.89 GRM5 (0.41) SMN1; SMN2S1PR1NPC1RAB9A
SCHEMBL13601436 0.89 S1PR1 (0.43) S1PR1S1PR4S1PR3S1PR5
SCHEMBL13601406 0.89 S1PR1 (0.43) S1PR1S1PR4S1PR3S1PR5
SCHEMBL13608368 0.88 NR1H4 (0.47) NR1H4NPSR1MAPTKDM4EALDH1A1
SCHEMBL13601408 0.85 S1PR1 (0.51) S1PR1S1PR4S1PR3S1PR5
SCHEMBL13601425 0.84 NPC1 (0.43) MAPTGAASMN1; SMN2S1PR1S1PR4
SCHEMBL13601412 0.83 S1PR1 (0.43) NR1H4SMN1; SMN2S1PR1S1PR4S1PR3

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 NR1H4 276/4885NPSR1 73/4885MAPT 4632/4885

“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.