SCHEMBL3595464

SCHEMBL3595464

CCOC(=O)c1cc(C)c(O)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.59
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BCL2L1 Q07817 1/20 0.47
PTPN11 Q06124 2/20 0.44
HSD17B2 P37059 1/20 0.44
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 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
SCHEMBL691510 0.91 ESR1 (0.70) ESR1CA12CA1CA2CA7
SCHEMBL869061 0.87 ESR1 (0.71) ESR1CA12CA1CA2CA7
SCHEMBL6745027 0.86 ESR1 (0.59) ESR1CA12CA1CA2CA7
SCHEMBL5026774 0.83 ESR1 (0.56) ESR1CA12CA1CA2CA7
SCHEMBL15044101 0.82 CA12 (0.61) ESR1CA12CA1CA2CA7
SCHEMBL401708 0.82 KDM4E (0.55) ESR1CA12CA1CA2CA7
SCHEMBL8950683 0.82 CA12 (0.60) ESR1CA12CA1CA2CA7
SCHEMBL10146774 0.81 CA12 (0.51) ESR1CA12CA1CA2CA7
SCHEMBL13967065 0.79 CA12 (0.58) ESR1CA12CA1CA2CA7
SCHEMBL15358131 0.79 CYP3A4 (0.49) ESR1CA12CA1CA2CA7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH 2012-05-31 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 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 (3 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-20120136003-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING 1,3,4-OXADIAZOLE DERIVATIVES CFTR, PKD1, PKD2 ESR1 4110/4885CA12 3865/4885CA1 3753/4885
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 ESR1 1649/4885CA12 3000/4885CA1 1971/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 ESR1 2507/4885CA12 2512/4885CA1 1692/4885

“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.