SCHEMBL6512173

SCHEMBL6512173

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.43
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 3/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL6522280 1.00 MAPT (0.53) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6512879 0.93 MAPT (0.56) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6512365 0.93 MAPT (0.56) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6512792 0.92 HDAC3 (0.46) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6515164 0.92 HDAC3 (0.46) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6512798 0.92 HDAC3 (0.46) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6511419 0.91 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6522323 0.91 SMN1; SMN2 (0.48) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6520118 0.91 SMN1; SMN2 (0.48) MAPTSMN1; SMN2HTTLMNATP53
SCHEMBL6519188 0.91 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HTTLMNATP53

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 6 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
EP-0975220-B1 USE OF SULFONYLOXADIAZOLONES AS MICROBICIDES BAYER CROPSCIENCE AG (DE) 2003-04-02 EP 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 839/4885SMN1; SMN2 4749/4885HTT 399/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP MAPT 3453/4885SMN1; SMN2 4875/4885HTT 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.