Sugi Predict

Sugi Predict / Compounds / SCHEMBL4067425

SCHEMBL4067425

SCHEMBL4067425

CC(C)[Si](Sc1ccccc1CCCCN(C)C(=O)OC(C)(C)C)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.37
▸ METAP2 P50579 1/20 0.36
▸ BCHE P06276 4/20 0.35
▸ ACHE P22303 4/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ GLS O94925 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ GPR88 Q9GZN0 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ SOS1 Q07889 1/20 0.31

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
SCHEMBL4067223 0.97 GBA1 (0.38) GBA1METAP2BCHEACHEHTR2C
SCHEMBL4067342 0.92 GBA1 (0.39) GBA1METAP2HTR2CSLC6A4GLS
SCHEMBL4964498 0.89 GBA1 (0.35) GBA1METAP2BCHEACHEHTR2C
SCHEMBL1399433 0.85 HTR2C (0.42) GBA1HTR2CSLC6A4GLSPDK2
SCHEMBL4383284 0.78 HTR2C (0.38) GBA1HTR2CSLC6A4PDK2LMNA
SCHEMBL4393441 0.76 TAAR1 (0.46) GBA1METAP2BCHEACHEGLS
SCHEMBL4389105 0.74 LMNA (0.40) GBA1METAP2BCHEACHEHTR2C
SCHEMBL4067004 0.74 GBA1 (0.39) GBA1METAP2HTR2CSLC6A4GLS
SCHEMBL4071441 0.74 GBA1 (0.35) GBA1METAP2HTR2CSLC6A4GLS
SCHEMBL4397673 0.74 SMN1; SMN2 (0.44) HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 — — EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 — — US disclosed
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives H. LUNDBECK A/S (DK) 2009-07-30 — — US disclosed
US-7534791-B2 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2009-05-19 — — US disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 — — EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 — — WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 — — 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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 GBA1 2276/4885METAP2 2999/4885BCHE 2114/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885METAP2 4260/4885BCHE 1965/4885

“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.