SCHEMBL6521735

SCHEMBL6521735

Cc1ccc(S(=O)(=O)c2c[nH]c3ccc(Oc4c(C(F)(F)F)cc([C@@H](N)C(=O)O)cc4C(F)(F)F)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
THRA P10827 8/20 0.47
THRB P10828 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL6514225 1.00 MAPT (0.53) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6513371 0.93 MAPT (0.51) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6512430 0.93 MAPT (0.51) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6516741 0.92 SMN1; SMN2 (0.46) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6516023 0.92 THRA (0.46) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6515697 0.92 THRA (0.46) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6516238 0.92 SMN1; SMN2 (0.46) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6514042 0.92 THRA (0.47) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6512134 0.92 THRA (0.47) MAPTTHRATHRBSMN1; SMN2KDM4E
SCHEMBL6516709 0.91 THRA (0.45) MAPTTHRATHRBSMN1; SMN2KDM4E

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 5 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
EP-1347959-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-20030078288-A1 Indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-04-24 US disclosed
WO-2002051805-A1 INDOLE DERIVATIVES AS LIGANDS OF THYROID RECEPTORS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO 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.