SCHEMBL6516969

SCHEMBL6516969

Cc1cc(CC(=O)O)cc(C(F)(F)F)c1Oc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.58
THRB P10828 8/20 0.58
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL6520192 0.94 THRA (0.62) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6512575 0.93 THRA (0.60) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6511406 0.93 THRA (0.57) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6515940 0.92 SMN1; SMN2 (0.52) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6520233 0.90 THRB (0.56) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6512865 0.90 THRB (0.56) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6511333 0.90 THRA (0.64) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6510883 0.88 SMN1; SMN2 (0.48) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6514238 0.88 SMN1; SMN2 (0.48) THRATHRBSMN1; SMN2HTTKDM4E
SCHEMBL6515573 0.88 THRB (0.52) THRATHRBSMN1; SMN2HTTKDM4E

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 1772/4885SMN1; SMN2 4749/4885
US-20050032874-A1 Anticholesterol agents; arteriosclerosis HMGCR, CYP46A1, EBP THRA 1917/4885THRB 1835/4885SMN1; 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.