SCHEMBL5622256

SCHEMBL5622256

COc1ccc(N(CCC(F)(F)F)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.68
ESR2 Q92731 1/20 0.68
KEAP1 Q14145 2/20 0.58
NFE2L2 Q16236 2/20 0.58
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TSHR P16473 1/20 0.55
RORC P51449 1/20 0.54
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
BMP1 P13497 1/20 0.50
CNR2 P34972 3/20 0.49
CNR1 P21554 2/20 0.49
CAMK2A Q9UQM7 2/20 0.47
NR1H2 P55055 1/20 0.47

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
SCHEMBL14602133 0.87 ESR1 (0.52) ESR1ESR2KEAP1NFE2L2ALDH1A1
SCHEMBL5622393 0.87 ESR1 (0.52) ESR1ESR2KEAP1NFE2L2ALDH1A1
SCHEMBL5623676 0.86 MEN1 (0.55) ESR1ESR2KEAP1NFE2L2ALDH1A1
SCHEMBL5622935 0.85 KEAP1 (0.61) KEAP1NFE2L2ALDH1A1RORCLMNA
SCHEMBL5622632 0.82 KEAP1 (0.64) ESR1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL5622485 0.81 ESR1 (1.00) ESR1ESR2RORCNR1H2
SCHEMBL5624485 0.79 KEAP1 (0.61) ESR1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL5622498 0.79 KEAP1 (0.68) ESR1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL5624488 0.78 ALDH1A1 (0.60) ESR1KEAP1NFE2L2ALDH1A1CYP3A4
SCHEMBL7002757 0.75 BMP1 (0.78) KEAP1NFE2L2ALDH1A1BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021495-A1 SULFONAMIDES AS SELECTIVE ESTROGEN RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-25 US disclosed
US-20070021495-A1 SULFONAMIDES AS SELECTIVE ESTROGEN RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-01-25 US 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-20070021495-A1 SULFONAMIDES AS SELECTIVE ESTROGEN RECEPTOR ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885KEAP1 2322/4885

“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.