SCHEMBL6511405

SCHEMBL6511405

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
THRA P10827 7/20 0.48
THRB P10828 7/20 0.48
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.40
KDM4E B2RXH2 4/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
MMP2 P08253 2/20 0.37
MMP8 P22894 2/20 0.37
MMP12 P39900 2/20 0.37

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
SCHEMBL6515258 0.93 MAPT (0.52) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6516635 0.92 THRA (0.47) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6511410 0.92 THRA (0.47) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6517156 0.92 THRA (0.48) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6860862 0.92 THRA (0.46) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6514492 0.90 THRA (0.46) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6524606 0.88 MAPT (0.56) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6520131 0.87 MAPT (0.53) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6520663 0.87 MAPT (0.53) MAPTTHRATHRBSMN1; SMN2HTT
SCHEMBL6513049 0.87 THRA (0.64) MAPTTHRATHRBSMN1; 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 MAPT 839/4885THRA 2460/4885THRB 1772/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP MAPT 3453/4885THRA 1917/4885THRB 1835/4885

“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.