SCHEMBL5864110

SCHEMBL5864110

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(O)cc2Cl)c2ccc(CCCN3CCSCC3)cc2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 14/20 0.37
ABL1 P00519 1/20 0.34
YES1 P07947 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 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 0.92 ABL1 (0.40) NMT1ABL1YES1SRCKDR
SCHEMBL5864868 0.89 SIGMAR1 (0.38) NMT1ABL1YES1SRCKDR
SCHEMBL5864216 0.86 SIGMAR1 (0.40) NMT1NR1H2NR1H3ALDH1A1KEAP1
SCHEMBL5863878 0.85 OPRM1 (0.39) NMT1ALDH1A1KEAP1
SCHEMBL5864026 0.84 KEAP1 (0.39) NR1H2NR1H3KEAP1NFE2L2
SCHEMBL5864171 0.82 HRH3 (0.37) ALDH1A1
SCHEMBL5864175 0.81 KEAP1 (0.40) NR1H2NR1H3ALDH1A1KEAP1NFE2L2
SCHEMBL5863949 0.81 KEAP1 (0.40) NR1H2NR1H3ALDH1A1KEAP1NFE2L2
SCHEMBL5863899 0.80 DRD2 (0.38) NMT1KEAP1NFE2L2
SCHEMBL5863904 0.80 DRD2 (0.38) NMT1KEAP1NFE2L2

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 NMT1 3050/4885ABL1 1155/4885YES1 3867/4885

“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.