SCHEMBL5954848

SCHEMBL5954848

CC(Nc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LTA4H P09960 2/20 0.46
NR1H2 P55055 1/20 0.46
BAX Q07812 1/20 0.46
MAPK1 P28482 1/20 0.44
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPY5R Q15761 2/20 0.43
PNLIP P16233 1/20 0.43
PARP10 Q53GL7 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
SCHEMBL5954851 1.00 MEN1 (0.47) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL7028109 0.89 CA12 (0.47) MEN1KMT2AMMP2CA9CA14
SCHEMBL7089012 0.89 CA12 (0.47) MEN1KMT2AMMP2CA9CA14
SCHEMBL16057214 0.89 CA12 (0.47) MEN1KMT2AMMP2CA9CA14
SCHEMBL5955152 0.88 MMP2 (0.57) LTA4HMAPK1MMP2MMP8MMP14
SCHEMBL5955145 0.88 MMP2 (0.57) LTA4HMAPK1MMP2MMP8MMP14
SCHEMBL6169593 0.85 CA2 (0.56) MEN1KMT2AMMP2MMP8MMP14
SCHEMBL6169592 0.85 CA2 (0.56) MEN1KMT2AMMP2MMP8MMP14
SCHEMBL5954543 0.85 SCN9A (0.55) MAPK1MMP2MMP8MMP14CA9
SCHEMBL5954546 0.85 SCN9A (0.55) MAPK1MMP2MMP8MMP14CA9

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-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LABORATOIRES FOURNIER S.A. (FR) 2006-02-02 US disclosed
EP-1546111-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2005-06-29 EP disclosed
WO-2004031160-A2 2-THIOHYDANTOINE DERIVATIVE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-04-15 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-20060025589-A1 2-Thiohydantoine derivative compounds and use thereof for the treatment of diabetes LIPC, CYP4F2, SLC5A2 MEN1 3372/4885KMT2A 1991/4885ESR1 3588/4885

“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.