SCHEMBL1372984

SCHEMBL1372984

O=C(CSCc1ccccc1)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.66
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
TAOK1 Q7L7X3 1/20 0.46
TAOK3 Q9H2K8 1/20 0.46
ACE P12821 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1372544 0.89 S1PR1 (0.67) S1PR1RAB9ATAOK1TAOK3SMN1; SMN2
SCHEMBL1372043 0.88 S1PR1 (0.66) S1PR1LMNAHTTRAB9AMAPT
SCHEMBL12044808 0.87 S1PR1 (0.73) S1PR1RAB9AALDH1A1MAPTTAOK1
SCHEMBL13392751 0.87 S1PR1 (0.73) S1PR1RAB9ATAOK1TAOK3SMN1; SMN2
SCHEMBL2365173 0.85 S1PR1 (0.74) S1PR1RAB9AALDH1A1TAOK1TAOK3
SCHEMBL1376235 0.84 S1PR1 (0.63) S1PR1LMNAHTTRAB9AALDH1A1
SCHEMBL1372892 0.84 S1PR1 (0.69) S1PR1TAOK1TAOK3
SCHEMBL1374327 0.84 S1PR1 (0.69) S1PR1TAOK1TAOK3
SCHEMBL1373995 0.83 S1PR1 (0.68) S1PR1TAOK1TAOK3
SCHEMBL1374371 0.83 S1PR1 (0.68) S1PR1TAOK1TAOK3

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 18 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-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-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
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-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
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 1/4885LMNA 4381/4885HTT 2505/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885LMNA 3406/4885HTT 4657/4885

“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.