SCHEMBL6512366

SCHEMBL6512366

COc1ccc(S(=O)(=O)c2c[nH]c3ccc(Oc4c(C)cc([C@@H](N)C(=O)O)cc4C)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CNR1 P21554 1/20 0.38
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 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
SCHEMBL6514303 1.00 MAPT (0.58) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6513233 0.93 MAPT (0.59) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6519245 0.93 MAPT (0.59) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6514502 0.92 MAPT (0.49) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6514507 0.92 MAPT (0.49) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6515302 0.92 MAPT (0.49) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6516634 0.92 MAPT (0.49) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6519217 0.92 SMN1; SMN2 (0.51) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6516166 0.92 MAPT (0.49) MAPTTP53SMN1; SMN2HTTLMNA
SCHEMBL6519222 0.92 SMN1; SMN2 (0.51) MAPTTP53SMN1; SMN2HTTLMNA

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 839/4885TP53 1463/4885SMN1; SMN2 4749/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP MAPT 3453/4885TP53 4368/4885SMN1; SMN2 4875/4885

“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.