SCHEMBL5863852

SCHEMBL5863852

O=S(=O)(c1ccccc1)N(Cc1ccc(O)cc1)c1ccc(CCCN2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.49
HPGD P15428 1/20 0.49
CNR2 P34972 5/20 0.48
LTA4H P09960 1/20 0.48
NR1I2 O75469 1/20 0.46
NR3C1 P04150 1/20 0.46
CNR1 P21554 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR7 P34969 1/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL5863885 0.90 HTR7 (0.59) ESR1LMNAKMT2AHPGDCNR2
SCHEMBL5863752 0.88 ESR1 (0.48) ESR1LMNAKMT2AHPGDCNR2
SCHEMBL5863848 0.87 CCR3 (0.53) ESR1
SCHEMBL5863792 0.85 ESR1 (0.53) ESR1LMNAKMT2AHPGDCNR2
SCHEMBL5863970 0.84 ESR1 (0.54) ESR1LMNACNR2LTA4HNR3C1
SCHEMBL5864358 0.82 ESR1 (0.49) ESR1LMNAKMT2AHPGDCNR2
SCHEMBL6295367 0.79 ESR1 (0.88) ESR1LMNAKMT2ACNR2NR1I2
Trifluoroacetic Acid SCHEMBL5864007 0.79 MMP1 (0.49) ESR1LMNACNR2LTA4HNR3C1
SCHEMBL5863975 0.79 ESR1 (0.55) ESR1KMT2ACNR2NR1I2NR3C1
SCHEMBL5864177 0.78 MMP1 (0.54) ESR1KMT2ACNR2LTA4HCNR1

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 ESR1 4/4885LMNA 3627/4885KMT2A 2144/4885

“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.