SCHEMBL5863972

SCHEMBL5863972

Cc1cc(CN(c2ccc(OCCN3CCCC3)cc2)S(=O)(=O)c2cccc(Cl)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.48
PGR P06401 1/20 0.48
MMP1 P03956 2/20 0.48
MMP9 P14780 2/20 0.48
MMP13 P45452 2/20 0.48
ADAM17 P78536 2/20 0.48
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
RORC P51449 1/20 0.42
KCNH2 Q12809 2/20 0.42
NR3C1 P04150 1/20 0.42
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PDK1 Q15118 2/20 0.41
ABL1 P00519 1/20 0.41
PDK2 Q15119 1/20 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
SCHEMBL5864346 0.91 MMP1 (0.51) LTA4HMMP1MMP9MMP13ADAM17
SCHEMBL5864402 0.89 PGR (0.55) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863929 0.88 PGR (0.54) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863620 0.87 MMP1 (0.53) LTA4HMMP1MMP9MMP13ADAM17
SCHEMBL5864344 0.86 PGR (0.47) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863830 0.84 MMP1 (0.46) LTA4HMMP1MMP9MMP13ADAM17
SCHEMBL5863869 0.82 LTA4H (0.48) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863850 0.82 MMP1 (0.51) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863450 0.81 MMP1 (0.47) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863875 0.81 LTA4H (0.47) LTA4HMMP1MMP9MMP13ADAM17

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 LTA4H 1687/4885PGR 54/4885MMP1 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.