SCHEMBL1375283

SCHEMBL1375283

O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1cnccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.62
CTSS P25774 1/20 0.52
PSMB11 A5LHX3 2/20 0.48
PSMA7 O14818 2/20 0.48
PSMB1 P20618 2/20 0.48
PSMA1 P25786 2/20 0.48
PSMA2 P25787 2/20 0.48
PSMA3 P25788 2/20 0.48
PSMA4 P25789 2/20 0.48
PSMB8 P28062 2/20 0.48
PSMB9 P28065 2/20 0.48
PSMA5 P28066 2/20 0.48
PSMB4 P28070 2/20 0.48
PSMB6 P28072 2/20 0.48
PSMB5 P28074 2/20 0.48
LONP1 P36776 2/20 0.48
PSMB10 P40306 2/20 0.48
PSMB3 P49720 2/20 0.48
PSMB2 P49721 2/20 0.48
PSMA6 P60900 2/20 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
SCHEMBL2353153 0.83 S1PR1 (0.72) S1PR1RAB9ANPC1SMN1; SMN2TAOK1
SCHEMBL12044866 0.82 S1PR1 (0.62) S1PR1TAOK1TAOK3
SCHEMBL1373002 0.81 S1PR1 (0.71) S1PR1TAOK1TAOK3
SCHEMBL1373005 0.81 S1PR1 (0.71) S1PR1TAOK1TAOK3
SCHEMBL1374544 0.81 UGCG (0.64) S1PR1
SCHEMBL9985096 0.81 S1PR1 (0.61) S1PR1RAB9ASMN1; SMN2TAOK1TAOK3
SCHEMBL1375135 0.81 S1PR1 (0.64) S1PR1TAOK1TAOK3
SCHEMBL12044416 0.81 S1PR1 (0.56) S1PR1TSHRRAB9ANPC1SMN1; SMN2
SCHEMBL1372313 0.81 S1PR1 (0.66) S1PR1RAB9ANPC1SMN1; SMN2TAOK1
SCHEMBL12044690 0.80 S1PR1 (0.60) S1PR1POLBTAOK1TAOK3

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 13 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-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-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-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
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
WO-2010045601-A2 SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS EXELIXIS, INC. (US) 2010-04-22 WO 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 1/4885CTSS 2920/4885PSMB11 2237/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885CTSS 3141/4885PSMB11 3934/4885

“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.