SCHEMBL1373885

SCHEMBL1373885

CC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 1/20 0.59
FOLH1 Q04609 1/20 0.52
CTSK P43235 10/20 0.51
CTSS P25774 5/20 0.51
CAPN1 P07384 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL1373880 1.00 MEN1 (0.59) MEN1GAAKMT2AFOLH1CTSK
SCHEMBL12643955 0.96 FOLH1 (0.58) MEN1GAAKMT2AFOLH1CTSK
SCHEMBL2211809 0.96 FOLH1 (0.58) MEN1GAAKMT2AFOLH1CTSK
SCHEMBL7718173 0.96 FOLH1 (0.58) MEN1GAAKMT2AFOLH1CTSK
SCHEMBL12238298 0.91 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL4888105 0.91 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL903957 0.91 MEN1 (0.71) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13282482 0.91 MEN1 (0.50) MEN1GAAKMT2AFOLH1CTSK
SCHEMBL17171851 0.89 MEN1 (0.56) MEN1GAAKMT2AFOLH1CTSK
SCHEMBL19851906 0.88 MEN1 (0.68) MEN1GAAKMT2AFOLH1CTSK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS 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 (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 MEN1 2389/4885GAA 4401/4885KMT2A 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.