SCHEMBL1375973

SCHEMBL1375973

COC(=O)c1ccc(C(=O)NC(COCc2ccccc2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.64
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
HDAC1 Q13547 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL1374223 0.93 S1PR1 (0.66) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL2353153 0.92 S1PR1 (0.72) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL1372313 0.91 S1PR1 (0.66) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL3126793 0.91 S1PR1 (0.68) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL13393047 0.91 S1PR1 (0.68) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL1374302 0.89 S1PR1 (0.63) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL12044728 0.89 S1PR1 (0.63) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL1372535 0.89 S1PR1 (0.66) S1PR1HDAC1ALDH1A1PGR
SCHEMBL1374116 0.88 S1PR1 (0.62) S1PR1MEN1KMT2ATAOK1TAOK3
SCHEMBL1373370 0.88 S1PR1 (0.62) S1PR1MEN1KMT2ATAOK1TAOK3

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 11 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
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 1/4885MEN1 1105/4885KMT2A 4096/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885MEN1 2389/4885KMT2A 3292/4885

“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.