SCHEMBL5864012

SCHEMBL5864012

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
SERPINE1 P05121 2/20 0.47
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ADAM17 P78536 2/20 0.46
LTA4H P09960 2/20 0.46
ESR1 P03372 4/20 0.44
HRH3 Q9Y5N1 2/20 0.43
KCNA5 P22460 2/20 0.42
HTT P42858 1/20 0.42
ESR2 Q92731 3/20 0.42
KCNH2 Q12809 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
KDR P35968 2/20 0.41

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
SCHEMBL5863594 0.91 HRH3 (0.49) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863843 0.90 NR3C1 (0.50) NR3C1MMP1MMP9MMP13ADAM17
SCHEMBL5863692 0.90 MMP1 (0.51) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863623 0.89 NR3C1 (0.53) NR3C1SERPINE1MMP1MMP9MMP13
SCHEMBL5863789 0.89 LTA4H (0.53) NR3C1MMP1MMP9MMP13ADAM17
SCHEMBL5863649 0.89 MMP1 (0.51) NR3C1MMP1MMP9MMP13ADAM17
SCHEMBL5864250 0.89 MMP1 (0.51) NR3C1MMP1MMP9MMP13ADAM17
SCHEMBL5863991 0.89 NR3C1 (0.50) NR3C1MMP1MMP9MMP13ADAM17
SCHEMBL5863389 0.89 MMP1 (0.57) NR3C1MMP1MMP9MMP13ADAM17
SCHEMBL5863913 0.88 KDM4E (0.52) MMP1MMP9MMP13ADAM17LTA4H

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 NR3C1 160/4885SERPINE1 2435/4885MMP1 1746/4885

“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.