SCHEMBL5864335

SCHEMBL5864335

COc1ccc(S(=O)(=O)N(Cc2ccc(OC(=O)C(F)(F)F)cc2Cl)c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.48
MMP9 P14780 6/20 0.48
MMP13 P45452 6/20 0.48
ADAM17 P78536 3/20 0.48
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL5864332 0.90 MMP1 (0.47) MMP1MMP9MMP13ADAM17KEAP1
SCHEMBL5863315 0.89 MMP1 (0.41) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5864170 0.88 MMP1 (0.50) MMP1MMP9MMP13ADAM17KEAP1
SCHEMBL5863730 0.79 ESR1 (0.50) ESR1ESR2POLBKDM4E
Trifluoroacetic Acid SCHEMBL5863309 0.79 ESR1 (0.42) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5864009 0.79 MMP1 (0.51) MMP1MMP9MMP13ADAM17LMNA
SCHEMBL5863797 0.77 MMP1 (0.61) MMP1MMP9MMP13ADAM17KEAP1
Hydrochloric Acid SCHEMBL5863582 0.76 MMP1 (0.60) MMP1MMP9MMP13ADAM17KEAP1
SCHEMBL5864139 0.76 ESR1 (0.46) ESR1ESR2POLBKDM4EHRH3
SCHEMBL5864087 0.75 ESR1 (0.45) ESR1ESR2KDM4EHRH3

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 MMP1 1746/4885MMP9 2415/4885MMP13 2401/4885

“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.