SCHEMBL1372965

SCHEMBL1372965

NC(COCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.75
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61

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
SCHEMBL1372962 1.00 LTA4H (0.75) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL1372071 0.90 S1PR1 (0.62) LTA4H
SCHEMBL1372073 0.90 S1PR1 (0.62) LTA4H
SCHEMBL2307636 0.89 LTA4H (0.58) LTA4H
SCHEMBL27840730 0.87 LTA4H (0.56) LTA4H
SCHEMBL1375677 0.87 LTA4H (0.56) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL1375675 0.87 LTA4H (0.56) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL27840732 0.87 LTA4H (0.56) LTA4H
SCHEMBL6286329 0.86 LTA4H (0.55) LTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL1373748 0.85 LTA4H (0.56) LTA4HNPC1RAB9ASMN1; SMN2

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 3 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
CN-102256944-A Sphingosine-1-phosphate receptor antagonists EXELIXIS INC 2011-11-23 CN 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 1113/4885NPC1 318/4885RAB9A 3373/4885

“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.