SCHEMBL5097976

SCHEMBL5097976

O=C(O)C(c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.65
FFAR1 O14842 1/20 0.63
MAOB P27338 8/20 0.59
PARP10 Q53GL7 1/20 0.59
APP P05067 1/20 0.54
GPR34 Q9UPC5 1/20 0.53
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
S1PR5 Q9H228 1/20 0.52
GSK3B P49841 1/20 0.52
BACE1 P56817 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51

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
SCHEMBL10999770 0.85 NR4A1 (0.62) NR4A2FFAR1MAOBPARP10
SCHEMBL2873996 0.84 NR4A1 (0.60) NR4A2FFAR1MAOBPARP10
SCHEMBL5093631 0.82 FFAR1 (0.61) NR4A2FFAR1MAOBPARP10APP
SCHEMBL20490407 0.82 HDAC1 (0.59) NR4A2FFAR1MAOBPARP10GPR34
SCHEMBL27550091 0.79 MAOB (0.80) NR4A2MAOBPARP10APPCA12
SCHEMBL67656 0.79 HDAC3 (0.59) CA1CA2
SCHEMBL11511086 0.79 NR4A2 (0.61) NR4A2FFAR1MAOBPARP10APP
SCHEMBL6412631 0.79 NR4A2 (1.00) NR4A2MAOBPARP10RXRARXRB
SCHEMBL3500162 0.79 NR4A2 (0.71) NR4A2FFAR1MAOBPARP10APP
SCHEMBL4429942 0.79 NR4A2 (0.71) NR4A2FFAR1MAOBPARP10APP

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-7348017-B2 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2008-03-25 US disclosed
EP-1422224-B1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN SHISEIDO CO LTD (JP) 2007-12-19 EP disclosed
US-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin SHISEIDO CO., LTD. (JP) 2004-11-25 US disclosed
EP-1422224-A1 DITHIAZOLE COMPOUNDS, MATRIX METALLOPROTEASE INHIBITORS AND EXTERNAL PREPARATIONS FOR THE SKIN Shiseido Co., Ltd. (JP) 2004-05-26 EP 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-20040236111-A1 Dithiazole compounds, matrix metalloprotease inhibitors and external preparations for the skin MMP1, MMP2, MMP3 NR4A2 2425/4885FFAR1 3086/4885MAOB 1151/4885

“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.