SCHEMBL1375658

SCHEMBL1375658

CC(C)(C)OC(=O)C1CCCN1CC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.53
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ACE P12821 1/20 0.43
MMEL1 Q495T6 1/20 0.42
CCKBR P32239 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PABPC1 P11940 1/20 0.41
KLK7 P49862 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CTSS P25774 1/20 0.40
UGCG Q16739 1/20 0.39
TACR1 P25103 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
SCHEMBL1375660 1.00 S1PR1 (0.53) S1PR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL1375663 1.00 S1PR1 (0.53) S1PR1ADORA3ADORA2AADORA2BADORA1
SCHEMBL9983998 0.90 S1PR1 (0.58) S1PR1MMEL1CCKBRMEN1HPGD
SCHEMBL9984002 0.90 S1PR1 (0.58) S1PR1MMEL1CCKBRMEN1HPGD
SCHEMBL27840861 0.87 S1PR1 (0.58) S1PR1CCKBRMEN1HPGDKMT2A
SCHEMBL1373220 0.87 S1PR1 (0.58) S1PR1CCKBRMEN1HPGDKMT2A
SCHEMBL1372968 0.85 S1PR1 (0.57) S1PR1CCKBRMEN1HPGDKMT2A
SCHEMBL12044791 0.83 S1PR1 (0.55) S1PR1CCKBRPABPC1KLK7KLK5
SCHEMBL1371682 0.83 S1PR1 (0.56) S1PR1CCKBRMEN1HPGDKMT2A
SCHEMBL27840733 0.83 S1PR1 (0.56) S1PR1CCKBRMEN1HPGDKMT2A

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 3 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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 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 (1 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 S1PR1 1/4885ADORA3 423/4885ADORA2A 154/4885

“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.