SCHEMBL2818302

SCHEMBL2818302

Cc1cc(O)ccc1C(N)=NO

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KDM1A O60341 2/20 0.43
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.40
ESR2 Q92731 6/20 0.37
ESR1 P03372 4/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37
MAOA P21397 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
HSD17B1 P14061 1/20 0.36
ACHE P22303 1/20 0.35

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
SCHEMBL31748462 0.84 GAA (0.43) GAAKDM1ALMNAGFERKMT2A
SCHEMBL8002042 0.82 GAA (0.44) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL10147435 0.82 GAA (0.44) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL17737955 0.82 GAA (0.44) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL6649997 0.80 PDE10A (0.47) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL15952024 0.78 LMNA (0.47) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL15952026 0.78 LMNA (0.47) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL2473978 0.78 GAA (0.42) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL2473975 0.78 GAA (0.42) GAALMNAGFERKMT2AL3MBTL1
SCHEMBL12186540 0.76 HSD17B10 (0.46) GAAKDM1ALMNAKMT2AL3MBTL1

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 GAA 4115/4885KDM1A 1583/4885LMNA 3659/4885

“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.