SCHEMBL1375675

SCHEMBL1375675

N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 12/20 0.56
▸ SLC1A1 P43005 2/20 0.56
▸ SLC1A3 P43003 1/20 0.56
▸ SLC1A2 P43004 1/20 0.56
▸ S1PR1 P21453 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ BACE1 P56817 2/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1375677 1.00 LTA4H (0.56) LTA4HSLC1A1SLC1A3SLC1A2S1PR1
SCHEMBL27840732 0.92 LTA4H (0.56) LTA4HSLC1A1SLC1A3SLC1A2S1PR1
SCHEMBL27840730 0.92 LTA4H (0.56) LTA4HSLC1A1SLC1A3SLC1A2S1PR1
SCHEMBL2307636 0.92 LTA4H (0.58) LTA4HSLC1A1S1PR1BACE1
SCHEMBL6286329 0.88 LTA4H (0.55) LTA4HSLC1A1S1PR1BACE1NPC1
SCHEMBL1372073 0.87 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1372965 0.87 LTA4H (0.75) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL1372071 0.87 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1372962 0.87 LTA4H (0.75) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL27228895 0.84 SLC1A1 (0.56) LTA4HSLC1A1PPARACA1CA2

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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 — — US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 — — 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 LTA4H 1113/4885SLC1A1 3570/4885SLC1A3 3575/4885

“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.

Send feedback