Sugi Predict

Sugi Predict / Compounds / SCHEMBL4067223

SCHEMBL4067223

SCHEMBL4067223

CC(C)[Si](Sc1ccccc1CCCN(C)C(=O)OC(C)(C)C)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ BCHE P06276 3/20 0.33
▸ ACHE P22303 3/20 0.33
▸ GPR88 Q9GZN0 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BUB1 O43683 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ SOS1 Q07889 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL4067425 0.97 GBA1 (0.37) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL4067342 0.93 GBA1 (0.39) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL4964498 0.92 GBA1 (0.35) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL1399433 0.86 HTR2C (0.42) GBA1HTR2CSLC6A4PDK2PAX8
SCHEMBL4383284 0.79 HTR2C (0.38) GBA1HTR2CSLC6A4PDK2LMNA
SCHEMBL4389105 0.78 LMNA (0.40) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL27770765 0.75 PDK2 (0.39) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL4059871 0.75 TAAR1 (0.47) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL4063459 0.74 GBA1 (0.39) GBA1METAP2HTR2CSLC6A4PDK2
SCHEMBL14092228 0.74 LMNA (0.38) GBA1METAP2PDK2BCHEACHE

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
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
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 — — US disclosed
US-20060287386-A1 Benzo[b]furane and benzo[b]thiophene 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 (3 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-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885METAP2 4260/4885HTR2C 948/4885
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 GBA1 2276/4885METAP2 2999/4885HTR2C 73/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885METAP2 4260/4885HTR2C 948/4885

“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.