SCHEMBL6524638

SCHEMBL6524638

COc1ccc(S(=O)(=O)c2c[nH]c3ccc(Oc4c(Br)cc(C[C@H](N)C(=O)O)cc4Br)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
THRB P10828 9/20 0.43
THRA P10827 8/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PPARG P37231 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
LTA4H P09960 1/20 0.42
PLA2G2A P14555 1/20 0.42
TP53 P04637 1/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 2/20 0.40
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39

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
SCHEMBL6513219 1.00 MAPT (0.51) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6520657 0.93 MAPT (0.53) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6514030 0.93 MAPT (0.53) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6512397 0.92 KMT2A (0.48) MAPTTHRBTHRALMNAPPARG
SCHEMBL6524664 0.92 KMT2A (0.48) MAPTTHRBTHRALMNAPPARG
SCHEMBL6512945 0.91 MAPT (0.46) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6518581 0.91 LMNA (0.46) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6860814 0.91 LMNA (0.46) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6516565 0.91 MAPT (0.46) MAPTTHRBTHRALMNASMN1; SMN2
SCHEMBL6516182 0.91 MAPT (0.55) MAPTTHRBTHRALMNASMN1; SMN2

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 5 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
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO 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 MAPT 839/4885THRB 1772/4885THRA 2460/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP MAPT 3453/4885THRB 1835/4885THRA 1917/4885

“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.