SCHEMBL6512043

SCHEMBL6512043

N[C@@H](Cc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccccc4)c3c2)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.51
THRA P10827 10/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
LTA4H P09960 1/20 0.46
PLA2G2A P14555 1/20 0.46
MAPT P10636 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL6515827 1.00 THRB (0.51) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6520505 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6515788 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6514045 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6516018 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6523670 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6511286 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6512830 0.93 THRB (0.49) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6513025 0.93 THRB (0.51) THRBTHRAKMT2AMEN1HSP90AA1
SCHEMBL6515717 0.93 THRB (0.51) THRBTHRAKMT2AMEN1HSP90AA1

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 2460/4885KMT2A 1586/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885THRA 1917/4885KMT2A 3869/4885

“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.