SCHEMBL6513004

SCHEMBL6513004

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 17/20 0.57
THRA P10827 16/20 0.57
MAPT P10636 2/20 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
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6516000 0.94 THRB (0.56) THRBTHRAMAPTPOLBHTT
SCHEMBL6512608 0.94 THRA (0.65) THRBTHRAMAPTHDAC3HDAC4
SCHEMBL6520233 0.93 THRB (0.56) THRBTHRAMAPTPOLBHTT
SCHEMBL6521776 0.91 THRB (0.50) THRBTHRAMAPTHDAC3HDAC4
SCHEMBL6522287 0.90 THRB (0.57) THRBTHRAMAPTHDAC3HDAC4
SCHEMBL6512575 0.90 THRA (0.60) THRBTHRAMAPTHDAC3HDAC4
SCHEMBL6511483 0.90 THRB (0.61) THRBTHRAMAPTPOLBHTT
SCHEMBL6513235 0.88 THRB (0.55) THRBTHRAMAPTPOLBHTT
SCHEMBL6520192 0.87 THRA (0.62) THRBTHRAMAPTPOLBHTT
SCHEMBL6862290 0.87 THRB (0.62) THRBTHRAMAPTPOLBHTT

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 2460/4885MAPT 839/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885THRA 1917/4885MAPT 3453/4885

“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.