SCHEMBL1372913

SCHEMBL1372913

N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 13/20 0.57
S1PR1 P21453 2/20 0.57
GCGR P47871 1/20 0.50
ACP1 P24666 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN13 Q12923 1/20 0.49
SSU72 Q9NP77 1/20 0.49
XIAP P98170 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
STK39 Q9UEW8 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL1372917 1.00 PNLIP (0.57) PNLIPS1PR1GCGRACP1PTPN12
SCHEMBL1372231 0.95 S1PR1 (0.62) PNLIPS1PR1ACP1PTPN12PTPN13
SCHEMBL1372228 0.95 S1PR1 (0.62) PNLIPS1PR1ACP1PTPN12PTPN13
SCHEMBL1372246 0.88 S1PR1 (0.58) S1PR1LTA4H
SCHEMBL1372249 0.88 S1PR1 (0.58) S1PR1LTA4H
SCHEMBL1371594 0.82 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1371590 0.82 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1372073 0.81 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1372071 0.81 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1373113 0.79 MITF (0.51) S1PR1MAPTLTA4H

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 PNLIP 646/4885S1PR1 1/4885GCGR 300/4885

“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.