SCHEMBL1374455

SCHEMBL1374455

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

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.70
RNF4 P78317 1/20 0.50
TAOK1 Q7L7X3 1/20 0.48
TAOK3 Q9H2K8 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
GPR34 Q9UPC5 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
TACR2 P21452 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1374454 1.00 S1PR1 (0.70) S1PR1RNF4TAOK1TAOK3FNTA
SCHEMBL1372397 0.92 S1PR1 (0.75) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL1372399 0.92 S1PR1 (0.75) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL13392750 0.90 S1PR1 (0.70) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL1373224 0.88 S1PR1 (0.68) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL15905740 0.88 S1PR1 (0.68) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL1376149 0.88 S1PR1 (0.68) S1PR1TAOK1TAOK3GPR34
SCHEMBL1373227 0.88 S1PR1 (0.68) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL13393029 0.88 S1PR1 (0.65) S1PR1TAOK1TAOK3FNTAFNTB
SCHEMBL27942538 0.87 S1PR1 (0.64) S1PR1TAOK1TAOK3FNTAFNTB

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 10 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
CN-102245174-B Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS INC 2013-11-06 CN 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
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

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 1/4885RNF4 4517/4885TAOK1 1772/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885RNF4 4705/4885TAOK1 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.