Sugi Predict

Sugi Predict / Compounds / SCHEMBL1149963

SCHEMBL1149963

SCHEMBL1149963

CC(C)(C)[Si](OC[C@@H]1CCC(=O)N1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ PDK2 Q15119 3/20 0.39
▸ IRAK4 Q9NWZ3 6/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IRAK1 P51617 1/20 0.36
▸ CTSD P07339 1/20 0.35
▸ PDCD1LG2 Q9BQ51 1/20 0.35
▸ CD274 Q9NZQ7 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
SCHEMBL6237907 1.00 SMYD2 (0.39) SMYD2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1293220 1.00 SMYD2 (0.39) SMYD2GABRA1GABRG2GABRB3GABRA5
SCHEMBL15348613 0.92 SMYD2 (0.38) SMYD2GABRA1GABRG2GABRB3GABRA5
SCHEMBL15348614 0.92 SMYD2 (0.38) SMYD2GABRA1GABRG2GABRB3GABRA5
SCHEMBL30141492 0.92 SMYD2 (0.38) SMYD2GABRA1GABRG2GABRB3GABRA5
SCHEMBL31048362 0.91 SMYD2 (0.37) SMYD2GABRA1GABRG2GABRB3GABRA5
SCHEMBL9558683 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL9558690 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL14285577 0.84 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL15209526 0.81 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076235-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-10 — — WO disclosed
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 — — US disclosed
EP-3475275-B1 3-ARYL AND HETEROARYL SUBSTITUTED 5-TRIFLUOROMETHYL OXADIAZOLES AS HISTONE DEACETYLASE 6 (HDAC6) INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-04-10 — — EP disclosed
CN-111542516-B IRAK4 inhibitors and uses thereof 新标立亚医疗有限公司 2023-07-18 — — CN disclosed
CN-110770224-B Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2022-11-18 — — CN disclosed
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators GENENTECH, INC. (US) 2022-02-01 — — US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-07-20 — — US disclosed
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-07-20 — — US disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 — — WO disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
US-7906655-B2 5,5'-(1,2-ethynediyl)bis(2-((2S)-1-((2R)-2-phenylpropanoyl)-2-pyrrolidinyl)-1H-benzimidazole); inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-15 — — US disclosed
US-20110034438-A1 STRUCTURAL MIMETICS OF PROLINE-RICH PEPTIDES AND THE PHARMACEUTICAL USE THEREOF FORSCHUNGSVERBUND BERLIN E.V. (DE) 2011-02-10 — — US disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 — — WO disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 — — US disclosed
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-03-18 — — US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — 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 (9 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 SMYD2 4224/4885GABRA1 3570/4885GABRG2 3283/4885
US-20100068176-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMYD2 4350/4885GABRA1 3946/4885GABRG2 3280/4885
US-11066396-B2 3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (HDAC6) inhibitors HDAC6, HDAC1, HDAC5 SMYD2 1422/4885GABRA1 2158/4885GABRG2 2936/4885
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS SMYD2 4350/4885GABRA1 3946/4885GABRG2 3280/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SMYD2 4125/4885GABRA1 4169/4885GABRG2 3606/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP SMYD2 4671/4885GABRA1 2089/4885GABRG2 2718/4885
US-20110034438-A1 STRUCTURAL MIMETICS OF PROLINE-RICH PEPTIDES AND THE PHARMACEUTICAL USE THEREOF PRNP, PRAP1, LRPPRC SMYD2 3382/4885GABRA1 2347/4885GABRG2 1738/4885
US-11236046-B2 Substituted heterocyclic sulfonamide compounds useful as TRPA1 modulators TRPA1, TRPV1, TRPV2 SMYD2 2992/4885GABRA1 866/4885GABRG2 894/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 SMYD2 4647/4885GABRA1 3761/4885GABRG2 4072/4885

“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.