SCHEMBL1372996

SCHEMBL1372996

O=C(Cc1c[nH]cn1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.73
ACP1 P24666 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN13 Q12923 1/20 0.44
SSU72 Q9NP77 1/20 0.44
PNLIP P16233 2/20 0.41
UGCG Q16739 1/20 0.40
PARG Q86W56 1/20 0.39
STK39 Q9UEW8 1/20 0.39

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
SCHEMBL1372993 1.00 S1PR1 (0.73) S1PR1ACP1PTPN12PTPN13SSU72
SCHEMBL1375560 0.96 S1PR1 (0.68) S1PR1ACP1PTPN12PTPN13SSU72
SCHEMBL1375562 0.96 S1PR1 (0.68) S1PR1ACP1PTPN12PTPN13SSU72
SCHEMBL12044755 0.89 S1PR1 (0.72) S1PR1
SCHEMBL1373398 0.87 S1PR1 (0.62) S1PR1
SCHEMBL1373400 0.87 S1PR1 (0.62) S1PR1
SCHEMBL1375617 0.86 S1PR1 (0.72) S1PR1
SCHEMBL1375620 0.86 S1PR1 (0.72) S1PR1
SCHEMBL1373781 0.84 S1PR1 (0.60) S1PR1
SCHEMBL1373785 0.84 S1PR1 (0.60) S1PR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US claimed
US-8802692-B2 Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS, INC. (US) 2014-08-12 US disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents EXELIXIS, INC. (US) 2011-12-08 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 (2 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-20110301188-A1 Synergistic Effects Between Sphingosine-1-Phosphate Receptor Antagonists and Antimicrotubule Agents S1PR1, S1PR3, S1PR2 S1PR1 1/4885ACP1 1679/4885PTPN12 1494/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885ACP1 417/4885PTPN12 1683/4885

“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.