SCHEMBL5954546

SCHEMBL5954546

C[C@H](Nc1ccc(Oc2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.55
FPR2 P25090 4/20 0.53
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
EPHX2 P34913 1/20 0.44
MAPK1 P28482 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL5954543 1.00 SCN9A (0.55) SCN9AFPR2FNTAFNTBEPHX2
SCHEMBL233006 0.90 CA12 (0.48) SCN9AFPR2MMP2ALDH1A1
SCHEMBL233005 0.90 CA12 (0.48) SCN9AFPR2MMP2ALDH1A1
Methane SCHEMBL28130556 0.88 CA12 (0.47) SCN9AFPR2MMP2ALDH1A1
SCHEMBL5955152 0.87 MMP2 (0.57) MAPK1MMP2MMP8MMP14CA9
SCHEMBL5955145 0.87 MMP2 (0.57) MAPK1MMP2MMP8MMP14CA9
SCHEMBL5954848 0.85 MEN1 (0.47) MAPK1MMP2MMP8MMP14CA9
SCHEMBL5954851 0.85 MEN1 (0.47) MAPK1MMP2MMP8MMP14CA9
SCHEMBL6169593 0.84 CA2 (0.56) FNTAFNTBMMP2MMP8MMP14
SCHEMBL6169592 0.84 CA2 (0.56) FNTAFNTBMMP2MMP8MMP14

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 SCN9A 2953/4885FPR2 2049/4885FNTA 2270/4885

“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.