SCHEMBL6512830

SCHEMBL6512830

N[C@H](Cc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(S(=O)(=O)c4ccc(Cl)cc4)c3c2)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.49
THRA P10827 9/20 0.49
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
LMNA P02545 4/20 0.37
PCNA P12004 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
ABCB11 O95342 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
SCHEMBL6515724 1.00 THRB (0.49) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6520505 0.93 THRB (0.49) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6514045 0.93 THRB (0.49) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6511286 0.93 THRB (0.49) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6523670 0.93 THRB (0.49) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6512043 0.93 THRB (0.51) THRBTHRAMAPTMEN1KMT2A
SCHEMBL6515827 0.93 THRB (0.51) THRBTHRAMAPTMEN1KMT2A
SCHEMBL6513025 0.92 THRB (0.51) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6515717 0.92 THRB (0.51) THRBTHRAHTTSMN1; SMN2MAPT
SCHEMBL6512349 0.92 MAPT (0.51) THRBTHRAHTTSMN1; SMN2MAPT

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 2460/4885HTT 399/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRB 1835/4885THRA 1917/4885HTT 1524/4885

“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.