SCHEMBL7040382

SCHEMBL7040382

Cc1cc(N)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)NC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.53
THRA P10827 1/20 0.47
BRD4 O60885 2/20 0.40
BRD2 P25440 2/20 0.40
BRD3 Q15059 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
NR1H4 Q96RI1 1/20 0.36
PGR P06401 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
BRDT Q58F21 1/20 0.34

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
SCHEMBL7208159 0.92 THRB (0.57) THRBTHRABRD4BRD2BRD3
SCHEMBL4964380 0.92 THRB (0.57) THRBTHRABRD4BRD2BRD3
SCHEMBL6269972 0.88 THRB (0.62) THRBTHRABRD4BRD2BRD3
SCHEMBL7038263 0.84 THRB (0.51) THRBTHRABRD4BRD2BRD3
SCHEMBL7037797 0.84 THRB (0.50) THRBTHRABRD4BRD2BRD3
SCHEMBL6664958 0.84 THRB (0.55) THRBTHRA
SCHEMBL1641063 0.82 THRB (0.58) THRBTHRA
SCHEMBL7061433 0.82 THRB (0.55) THRBTHRA
SCHEMBL4961712 0.81 THRB (0.73) THRBTHRA
SCHEMBL6660463 0.80 THRB (0.55) THRBTHRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040535-A1 Tetrazole compounds as thyroid receptor ligands ASPNES GARY E (US) 2003-02-27 US disclosed
US-6441015-B2 OBESITY, ANTIDIABETIC AGENTS, CARDIOVASCULAR DISORDERS PFIZER INC. 2002-08-27 US disclosed
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands PFIZER INC. 2002-01-17 US disclosed
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 EP 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 (2 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-20030040535-A1 Tetrazole compounds as thyroid receptor ligands THRA, TSHR, THRB THRB 3/4885THRA 1/4885BRD4 4262/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885BRD4 4334/4885

“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.