SCHEMBL12044690

SCHEMBL12044690

O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccnc1Cl

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.60
UGCG Q16739 8/20 0.53
POLB P06746 1/20 0.45
KDR P35968 1/20 0.45
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45

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
SCHEMBL1374544 0.90 UGCG (0.64) S1PR1UGCG
SCHEMBL1375264 0.88 S1PR1 (0.68) S1PR1UGCGTAOK1TAOK3
SCHEMBL1374251 0.87 S1PR1 (0.58) S1PR1UGCGKDRTAOK1TAOK3
SCHEMBL1371714 0.86 S1PR1 (0.58) S1PR1UGCGPOLBTAOK1TAOK3
SCHEMBL2353422 0.84 S1PR1 (0.66) S1PR1UGCGTAOK1TAOK3
SCHEMBL1375613 0.83 S1PR1 (0.63) S1PR1UGCGTAOK1TAOK3
SCHEMBL1372482 0.83 S1PR1 (0.59) S1PR1UGCGTAOK1TAOK3
SCHEMBL2353153 0.82 S1PR1 (0.72) S1PR1TAOK1TAOK3
SCHEMBL1372535 0.82 S1PR1 (0.66) S1PR1UGCG
SCHEMBL2170416 0.81 S1PR1 (0.62) S1PR1UGCGTAOK1TAOK3

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 1/4885UGCG 823/4885POLB 898/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885UGCG 147/4885POLB 2626/4885

“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.