SCHEMBL1373947

SCHEMBL1373947

COc1ccc(Oc2ccc(NC(=O)[C@@H](N)COCc3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.56
S1PR1 P21453 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.51
KLK7 P49862 2/20 0.49
HDAC2 Q92769 1/20 0.48

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
SCHEMBL1373951 1.00 LTA4H (0.56) LTA4HS1PR1L3MBTL1ALDH1A1MAPT
SCHEMBL1372071 0.93 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1372073 0.93 S1PR1 (0.62) LTA4HS1PR1
SCHEMBL1373753 0.91 LTA4H (0.56) LTA4HS1PR1L3MBTL1ALDH1A1RAB9A
SCHEMBL1373748 0.91 LTA4H (0.56) LTA4HS1PR1L3MBTL1ALDH1A1RAB9A
SCHEMBL1371620 0.88 S1PR1 (0.58) LTA4HS1PR1ALDH1A1KMT2A
SCHEMBL1371622 0.88 S1PR1 (0.58) LTA4HS1PR1ALDH1A1KMT2A
SCHEMBL1372249 0.88 S1PR1 (0.58) LTA4HS1PR1
SCHEMBL1372246 0.88 S1PR1 (0.58) LTA4HS1PR1
SCHEMBL1372965 0.85 LTA4H (0.75) LTA4HRAB9ASMN1; 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 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 1113/4885S1PR1 1/4885L3MBTL1 2924/4885

“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.