SCHEMBL3532124

SCHEMBL3532124

CN(C)C(=S)Oc1c(Cl)cc(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD2 Q9NRG4 2/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17803751 0.89 NPC1 (0.32) CYP3A4HTTSMN1; SMN2NPC1LMNA
SCHEMBL17803754 0.83 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2
SCHEMBL2927140 0.81 PPARG (0.34) CYP3A4HTTSMN1; SMN2SMYD2L3MBTL1
SCHEMBL3535380 0.78 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL30298249 0.70 LOX (0.40) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL29178935 0.70 ESR1 (0.41) CYP3A4
SCHEMBL13116417 0.69 RAB9A (0.39) HTTSMN1; SMN2NPC1LMNAMAPT
SCHEMBL17288268 0.69 GAA (0.39) CYP3A4HTTSMN1; SMN2NPC1MAPT
SCHEMBL17803752 0.68 ACLY (0.34) SMN1; SMN2MAPT
SCHEMBL3681371 0.68 TRPA1 (0.38) CYP3A4HTTSMN1; SMN2SMYD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-RE46024-E1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2016-06-07 US disclosed
US-7807674-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2010-10-05 US disclosed
US-20090005383-A1 THYROID HORMONE ANALOGS HOFFMANN-LA ROCHE INC. 2009-01-01 US disclosed
US-7452882-B2 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. (US) 2008-11-18 US disclosed
US-20070032494-A1 Thyroid hormone analogs HOFFMANN-LA ROCHE INC. 2007-02-08 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-20090005383-A1 THYROID HORMONE ANALOGS THRA, THRB, TPO CYP3A4 401/4885HTT 440/4885SMN1; SMN2 4884/4885
US-20070032494-A1 Thyroid hormone analogs THRA, THRB, TPO CYP3A4 401/4885HTT 440/4885SMN1; SMN2 4884/4885

“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.