SCHEMBL6522045

SCHEMBL6522045

Cc1cc(CC(=O)O)cc(Br)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
THRB P10828 14/20 0.44
THRA P10827 13/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 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
SCHEMBL6512816 0.93 THRB (0.50) MAPTTHRBTHRAHDAC3HDAC4
SCHEMBL6513937 0.93 MAPT (0.50) MAPTTHRBTHRAHDAC3HDAC4
SCHEMBL6515118 0.92 SMN1; SMN2 (0.48) MAPTTHRBTHRAKDM4ESMN1; SMN2
SCHEMBL6514238 0.92 SMN1; SMN2 (0.48) MAPTTHRBTHRAKDM4ESMN1; SMN2
SCHEMBL6513401 0.89 THRB (0.48) MAPTTHRBTHRAHDAC3HDAC4
SCHEMBL6524694 0.89 MAPT (0.46) MAPTTHRBTHRAHDAC3HDAC4
SCHEMBL6516503 0.89 MAPT (0.58) MAPTTHRBTHRAKDM4ESMN1; SMN2
SCHEMBL6512804 0.87 MAPT (0.55) MAPTTHRBTHRAKDM4ESMN1; SMN2
SCHEMBL6511181 0.87 MAPT (0.60) MAPTTHRBTHRAKDM4ESMN1; SMN2
SCHEMBL6512575 0.87 THRA (0.60) MAPTTHRBTHRAHDAC3HDAC4

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 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.