SCHEMBL6513080

SCHEMBL6513080

O=C(O)Cc1cc(Br)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccc(Cl)cc4)c3c2)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.55
THRA P10827 13/20 0.55
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL6511483 0.94 THRB (0.61) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6512865 0.93 THRB (0.56) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6522287 0.93 THRB (0.57) THRBTHRAMAPT
SCHEMBL6516000 0.92 THRB (0.56) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6514008 0.92 SMN1; SMN2 (0.49) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6511406 0.90 THRA (0.57) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6511313 0.89 THRA (0.48) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6515118 0.87 SMN1; SMN2 (0.48) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6515704 0.87 THRB (0.55) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6520192 0.86 THRA (0.62) THRBTHRAHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032874-A1 Anticholesterol agents; arteriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 2005-02-10 US disclosed
US-6794406-B2 FOR THERAPY AND PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 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 (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-20030078288-A1 Indole derivatives IDO1, IDO2, TPH2 THRB 1772/4885THRA 2460/4885HTT 399/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885THRA 1917/4885HTT 1524/4885

“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.