SCHEMBL6513049

SCHEMBL6513049

COc1ccc(S(=O)(=O)c2c[nH]c3ccc(Oc4c(C(F)(F)F)cc(CC(=O)O)cc4C(F)(F)F)cc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.64
THRB P10828 7/20 0.64
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.45
MMP2 P08253 3/20 0.42
MMP8 P22894 3/20 0.42
MMP12 P39900 3/20 0.42
MMP13 P45452 3/20 0.42
MMP14 P50281 3/20 0.42
MMP16 P51512 3/20 0.42
MMP9 P14780 2/20 0.42
TP53 P04637 1/20 0.42
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
POLB P06746 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
SCHEMBL6511333 0.93 THRA (0.64) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6862290 0.92 THRB (0.62) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6520192 0.92 THRA (0.62) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6512608 0.92 THRA (0.65) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6511483 0.91 THRB (0.61) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6516992 0.90 MAPT (0.52) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6516627 0.89 THRB (0.61) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6524668 0.88 MAPT (0.53) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6516969 0.88 THRA (0.58) THRATHRBMAPTSMN1; SMN2HTT
SCHEMBL6512575 0.88 THRA (0.60) THRATHRBMAPTSMN1; SMN2HTT

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 THRA 2460/4885THRB 1772/4885MAPT 839/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885MAPT 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.