SCHEMBL1373140

SCHEMBL1373140

COc1ccc(N2CCN(CC(=O)N[C@@H](COCc3ccccc3)C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
S1PR1 P21453 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.52
REV1 Q9UBZ9 2/20 0.51
HTT P42858 2/20 0.51
GFER P55789 1/20 0.51
DRD4 P21917 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49

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
SCHEMBL1373143 1.00 MEN1 (0.61) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1373823 0.96 S1PR1 (0.60) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1373826 0.96 S1PR1 (0.60) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1371965 0.95 S1PR1 (0.56) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1371962 0.95 S1PR1 (0.56) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1372466 0.94 S1PR1 (0.60) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1372470 0.94 S1PR1 (0.60) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1374350 0.92 S1PR1 (0.55) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL1374346 0.92 S1PR1 (0.55) MEN1KMT2AS1PR1ALDH1A1LMNA
SCHEMBL27923643 0.90 GFER (0.58) MEN1KMT2AS1PR1ALDH1A1LMNA

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

“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.