SCHEMBL4680890

SCHEMBL4680890

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTP4A3 O75365 1/20 0.32
PTP4A1 Q93096 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
SETDB1 Q15047 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4685137 0.89 CYP3A4 (0.39) CYP3A4CYP11B1CYP11B2PTP4A3PTP4A1
SCHEMBL14498159 0.81 ALDH1A1 (0.39) CYP3A4CYP11B1CYP11B2ALDH1A1TSHR
SCHEMBL4683581 0.81 FNTA (0.31) FNTAFNTB
SCHEMBL4684333 0.79 MMP9 (0.36) CYP11B1CYP11B2TSHRTDP1POLB
SCHEMBL4680922 0.78 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL4686490 0.71 TRPM4 (0.31)
SCHEMBL6984165 0.71 TRPM4 (0.32) CYP3A4TSHRMEN1KMT2AGAA
SCHEMBL4681323 0.70 GAA (0.34) CYP3A4TSHRFNTAFNTBGAA
SCHEMBL6984167 0.68 GRM4 (0.30) PDCD1CD274
SCHEMBL4680143 0.68 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRMEN1KMT2A

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 87/4885CYP11B1 174/4885CYP11B2 121/4885

“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.