SCHEMBL17959627

SCHEMBL17959627

CC(C)(C)[Si](OC[C@@H]1CC=CN1C(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.37
CYP3A4 P08684 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABL1 P00519 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MGAM O43451 1/20 0.30
RIPK1 Q13546 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL1294153 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL29007937 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL1293342 0.89 KDM4E (0.36) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL1293340 0.89 KDM4E (0.36) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL29007757 0.89 KDM4E (0.36) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL15348422 0.88 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL3390114 0.82 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2ABL1
SCHEMBL12107391 0.81 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15348429 0.78 KDM4E (0.38) SMYD2CYP3A4HTTSMN1; SMN2MEN1
SCHEMBL15348431 0.78 KDM4E (0.38) SMYD2CYP3A4HTTSMN1; SMN2MEN1

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-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 US disclosed
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2020-02-13 US disclosed
EP-3055302-B1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-10-04 US disclosed
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2018-05-03 US disclosed
US-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS GENENTECH, INC. (US) 2016-08-04 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 (5 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-20160221945-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 SMYD2 2992/4885CYP3A4 1713/4885HTT 493/4885
US-20180282272-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 SMYD2 2992/4885CYP3A4 1713/4885HTT 493/4885
US-20180118680-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 SMYD2 2992/4885CYP3A4 1713/4885HTT 493/4885
US-20200048197-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 SMYD2 2992/4885CYP3A4 1713/4885HTT 493/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 SMYD2 2992/4885CYP3A4 1713/4885HTT 493/4885

“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.