SCHEMBL3532385

SCHEMBL3532385

CC(C)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nn(C)c1=O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 19/20 0.70
▸ THRA P10827 18/20 0.70
▸ CYP2C9 P11712 2/20 0.51
▸ UGT1A1 P22309 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ CYP2C8 P10632 1/20 0.48

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
SCHEMBL2924045 0.82 THRA (1.00) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL30558167 0.82 THRB (0.63) THRBTHRA
SCHEMBL2921559 0.81 THRA (1.00) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL24407975 0.77 THRB (0.70) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL21749443 0.77 THRA (0.71) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL21749392 0.77 THRA (0.67) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL21749533 0.77 THRA (0.67) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL2924750 0.77 THRB (0.67) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL2928500 0.76 THRA (0.58) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL30820666 0.76 THRA (0.58) THRBTHRACYP2C9UGT1A1ABCG2

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-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 — — US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 — — 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-20090005383-A1 THYROID HORMONE ANALOGS THRA, THRB, TPO THRB 2/4885THRA 1/4885CYP2C9 746/4885

“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.

Send feedback