SCHEMBL3683674

SCHEMBL3683674

CC(C)(C)[Si](C)(C)OC/C=C\CBr

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3683677 1.00 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL16499167 1.00 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL4487307 0.89
SCHEMBL821115 0.89
SCHEMBL4487319 0.89
SCHEMBL8424445 0.80
SCHEMBL14966263 0.80
SCHEMBL7497642 0.80
SCHEMBL12189897 0.80
SCHEMBL7497634 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891157-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2021-10-13 EP disclosed
WO-2020117626-A1 4-AMINO OR 4-ALKOXY-SUBSTITUTED ARYL SULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed
US-8557552-B2 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2013-10-15 US disclosed
US-8557552-B2 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2013-10-15 US disclosed
US-8557552-B2 Selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2013-10-15 US disclosed
WO-2012139043-A2 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2012-10-11 WO disclosed
US-20120258513-A1 Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2012-10-11 US disclosed
US-20120258513-A1 Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2012-10-11 US disclosed
US-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
WO-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20120258513-A1 Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 ALDH1A1 1035/4885TSHR 4178/4885
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 890/4885TSHR 3957/4885

“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.