SCHEMBL7040381

SCHEMBL7040381

O=S(=O)(c1cc(Oc2c(Cl)cc(-c3nn[nH]n3)cc2Cl)ccc1O)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 13/20 0.59
THRA P10827 2/20 0.41
GAA P10253 1/20 0.40
ACLY P53396 2/20 0.38
HRH1 P35367 1/20 0.37
CCR3 P51677 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL7037032 0.99 THRB (0.61) THRBTHRAGAALMNA
SCHEMBL7042656 0.90 THRB (0.49) THRBTHRAGAAACLY
SCHEMBL7039572 0.82 ACLY (0.41) THRBTHRAACLY
SCHEMBL7037537 0.81 THRB (0.56) THRBGAAACLY
SCHEMBL6660358 0.79 THRB (0.61) THRBTHRA
SCHEMBL7037496 0.76 THRB (0.58) THRBTHRA
SCHEMBL5331464 0.75 THRB (0.62) THRBTHRA
SCHEMBL6662021 0.75 THRB (0.57) THRBLMNA
SCHEMBL6214159 0.75 THRB (0.98) THRBTHRA
SCHEMBL6219351 0.74 THRB (1.00) 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 8 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 claimed
US-6441015-B2 OBESITY, ANTIDIABETIC AGENTS, CARDIOVASCULAR DISORDERS PFIZER INC. 2002-08-27 US claimed
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands PFIZER INC. 2002-01-17 US claimed
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 EP claimed
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 1/4885GAA 2153/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885GAA 1962/4885

“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.