SCHEMBL5864868

SCHEMBL5864868

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(O)cc2Cl)c2ccc(CCCN3CCC(C)CC3)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
NMT1 P30419 6/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR7 P34969 1/20 0.34
EPHX2 P34913 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
ABL1 P00519 1/20 0.34
YES1 P07947 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EBP Q15125 1/20 0.33

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
SCHEMBL5864051 0.91 ABL1 (0.40) SIGMAR1NMT1HRH1ABL1YES1
SCHEMBL5864110 0.89 NMT1 (0.37) NMT1ALDH1A1ABL1YES1SRC
SCHEMBL5864216 0.89 SIGMAR1 (0.40) SIGMAR1NMT1ALDH1A1OPRM1
SCHEMBL5864171 0.86 HRH3 (0.37) ALDH1A1HRH3
SCHEMBL5863814 0.86 SIGMAR1 (0.41) SIGMAR1NMT1USP2ALDH1A1HRH1
SCHEMBL5864175 0.83 KEAP1 (0.40) ALDH1A1EPHX2GAAHTT
SCHEMBL5863949 0.83 KEAP1 (0.40) ALDH1A1EPHX2GAAHTT
SCHEMBL5864026 0.83 KEAP1 (0.39)
SCHEMBL5863899 0.83 DRD2 (0.38) NMT1HRH3
SCHEMBL5863904 0.83 DRD2 (0.38) NMT1HRH3

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 SIGMAR1 467/4885NMT1 3050/4885USP2 2479/4885

“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.