SCHEMBL7037525

SCHEMBL7037525

N#Cc1cc(Cl)c(Oc2ccc(O)c(C(=O)N3CCCCC3)c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.59
THRA P10827 3/20 0.59
HSP90AA1 P07900 3/20 0.48
SCN9A Q15858 1/20 0.45
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
SCN7A Q01118 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7041996 0.86 ALDH1A1 (0.50) THRBTHRASCN9AALDH1A1GAA
SCHEMBL3231771 0.79 THRB (0.55) THRBTHRAHSP90AA1ALDH1A1GAA
SCHEMBL5332095 0.77 THRB (0.63) THRBTHRAHSP90AA1ALDH1A1GAA
SCHEMBL7040403 0.77 THRB (0.57) THRBTHRAHSP90AA1ALDH1A1GAA
SCHEMBL7037496 0.76 THRB (0.58) THRBTHRAALDH1A1POLBTSHR
SCHEMBL7042657 0.75 THRB (0.56) THRBTHRAHSP90AA1ALDH1A1GAA
SCHEMBL6657695 0.75 THRB (0.55) THRBTHRAHSP90AA1
SCHEMBL6663395 0.75 THRB (0.55) THRBTHRAHSP90AA1
SCHEMBL6658310 0.75 THRB (0.55) THRBTHRAHSP90AA1
SCHEMBL23691219 0.74 THRB (0.75) THRBTHRAHSP90AA1

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 1/4885HSP90AA1 3917/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB THRB 3/4885THRA 2/4885HSP90AA1 4154/4885

“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.