SCHEMBL1375633

SCHEMBL1375633

O=C(Cc1ccccn1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.69
UGCG Q16739 1/20 0.46
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
SCN9A Q15858 1/20 0.43
GPR34 Q9UPC5 1/20 0.42

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
SCHEMBL1375631 1.00 S1PR1 (0.69) S1PR1UGCGTAOK1TAOK3ADRB1
SCHEMBL1373002 0.90 S1PR1 (0.71) S1PR1UGCGTAOK1TAOK3ADRB1
SCHEMBL1373005 0.90 S1PR1 (0.71) S1PR1UGCGTAOK1TAOK3ADRB1
SCHEMBL1372399 0.89 S1PR1 (0.75) S1PR1TAOK1TAOK3
SCHEMBL1372397 0.89 S1PR1 (0.75) S1PR1TAOK1TAOK3
SCHEMBL12044664 0.87 S1PR1 (0.71) S1PR1UGCGTAOK1TAOK3GPR34
SCHEMBL1375765 0.85 S1PR1 (0.74) S1PR1UGCG
SCHEMBL1375767 0.85 S1PR1 (0.74) S1PR1UGCG
SCHEMBL1376149 0.85 S1PR1 (0.68) S1PR1TAOK1TAOK3GPR34
SCHEMBL13392750 0.85 S1PR1 (0.70) S1PR1TAOK1TAOK3GPR34

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 7 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
CN-102245174-B Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS INC 2013-11-06 CN 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
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 (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 1/4885UGCG 823/4885TAOK1 1772/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885UGCG 147/4885TAOK1 2953/4885

“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.