SCHEMBL4685137

SCHEMBL4685137

C=CCOC(=O)OCc1ccc(C#N)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KDM4C Q9H3R0 3/20 0.34
KDM5B Q9UGL1 2/20 0.34
CDK2 P24941 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ALB P02768 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.33
TRPM4 Q8TD43 1/20 0.33
PTP4A3 O75365 1/20 0.33
PTP4A1 Q93096 1/20 0.33
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM5A P29375 1/20 0.32

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
SCHEMBL4680890 0.89 CYP3A4 (0.35) CYP3A4TSHRGAAFNTAFNTB
SCHEMBL14498159 0.82 ALDH1A1 (0.39) CYP3A4TSHRGAAALDH1A1HSD17B10
SCHEMBL4681323 0.81 GAA (0.34) CYP3A4TSHRGAAHTTFNTA
SCHEMBL4684333 0.80 MMP9 (0.36) TSHRFFAR1CYP11B1CYP11B2
SCHEMBL4680143 0.77 CYP3A4 (0.54) CYP3A4TSHRGAAHTTMRGPRX4
SCHEMBL15109876 0.75 GAA (0.63) TSHRGAAKDM4CKDM5BXDH
SCHEMBL4680042 0.73 FNTA (0.39) HTTFNTAFNTBKDM4CKDM5B
SCHEMBL4680516 0.73 FNTA (0.37) TSHRHTTFNTAFNTBKDM4C
SCHEMBL4680128 0.72 CDK2 (0.44) HTTCDK2XDHSLC22A12ALB
SCHEMBL4686620 0.72 FNTA (0.36) TSHRFNTAFNTBKDM4CKDM5B

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
EP-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 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-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH CYP3A4 87/4885TSHR 2685/4885GAA 580/4885

“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.