SCHEMBL1375569

SCHEMBL1375569

CN1CCCC1CC1CCCCN1CC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.54
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 4/20 0.46
UGCG Q16739 1/20 0.42
CCKBR P32239 1/20 0.41
MCHR1 Q99705 2/20 0.41
MCHR2 Q969V1 1/20 0.41
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39

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
SCHEMBL12044797 1.00 S1PR1 (0.54) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL27840835 1.00 S1PR1 (0.54) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL1375566 1.00 S1PR1 (0.54) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL27840861 0.86 S1PR1 (0.58) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL1373220 0.86 S1PR1 (0.58) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL1372968 0.86 S1PR1 (0.57) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL9983998 0.85 S1PR1 (0.58) S1PR1MEN1HPGDKMT2AUGCG
SCHEMBL9984002 0.85 S1PR1 (0.58) S1PR1MEN1HPGDKMT2AUGCG
SCHEMBL1372408 0.82 S1PR1 (0.64) S1PR1MEN1HPGDKMT2ALTA4H
SCHEMBL1372404 0.82 S1PR1 (0.64) S1PR1MEN1HPGDKMT2ALTA4H

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 7 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-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

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 1105/4885HPGD 4394/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885MEN1 2389/4885HPGD 3360/4885

“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.