SCHEMBL2812229

SCHEMBL2812229

CC(C)(C)OC(=O)N1CCCC(C(=O)OCc2ccccc2)(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2813081 0.96 MEN1 (0.42) MEN1KMT2A
SCHEMBL2815499 0.93 MEN1 (0.40) MEN1KMT2A
SCHEMBL25304414 0.88 MEN1 (0.45) MEN1KMT2A
SCHEMBL13130080 0.86 TACR1 (0.50) MEN1KMT2A
SCHEMBL3092773 0.84 TACR1 (0.48) MEN1KMT2A
SCHEMBL2812887 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL23582844 0.83 MEN1 (0.46) MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28751391 0.83 TACR1 (0.48) MEN1KMT2A
SCHEMBL16684798 0.82 CYP2D6 (0.53) MEN1KMT2A
SCHEMBL18418191 0.82 CYP2D6 (0.53) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170850-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2014-09-24 EP disclosed
US-8809539-B2 Dicarboxylic acid derivatives as S1P1 receptor agonists BIOPROJET (FR) 2014-08-19 US disclosed
US-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-09-30 US disclosed
EP-2170850-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2010-04-07 EP disclosed
WO-2008152149-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2008-12-18 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-20100249187-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR2, S1PR5 MEN1 1877/4885KMT2A 3259/4885

“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.