SCHEMBL1375175

SCHEMBL1375175

O=C(COc1cccc2ccccc12)NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DAPK1 P53355 1/20 0.46
PIM3 Q86V86 1/20 0.46
CASP3 P42574 3/20 0.46
JAK2 O60674 1/20 0.44
TP53 P04637 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 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
SCHEMBL12044745 0.88 S1PR1 (0.64) S1PR1HPGDSMN1; SMN2TAOK1TAOK3
SCHEMBL1374327 0.88 S1PR1 (0.69) S1PR1TAOK1TAOK3
SCHEMBL1374402 0.86 S1PR1 (0.63) S1PR1MEN1KMT2ALMNA
SCHEMBL1376149 0.85 S1PR1 (0.68) S1PR1TAOK1TAOK3
SCHEMBL1374411 0.83 S1PR1 (0.65) S1PR1MEN1KMT2AALDH1A1TAOK1
SCHEMBL1373528 0.83 S1PR1 (0.68) S1PR1ALDH1A1SMN1; SMN2TAOK1TAOK3
SCHEMBL12044808 0.82 S1PR1 (0.73) S1PR1ALDH1A1SMN1; SMN2TAOK1TAOK3
SCHEMBL13392751 0.82 S1PR1 (0.73) S1PR1SMN1; SMN2JAK2TAOK1TAOK3
SCHEMBL1373265 0.82 S1PR1 (0.67) S1PR1ALDH1A1HPGDSMN1; SMN2JAK2
SCHEMBL1371954 0.81 S1PR1 (0.63) S1PR1SMN1; SMN2TAOK1TAOK3

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 9 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

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.