Sugi Predict

Sugi Predict / Compounds / SCHEMBL4067342

SCHEMBL4067342

SCHEMBL4067342

CC(C)[Si](Sc1ccccc1CCN(C)C(=O)OC(C)(C)C)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.39
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.34
▸ PAX8 Q06710 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ GLS O94925 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BUB1 O43683 1/20 0.32
▸ P4HB P07237 1/20 0.32
▸ CTSK P43235 2/20 0.32
▸ AHCY P23526 1/20 0.31
▸ AAK1 Q2M2I8 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 0.93 GBA1 (0.38) GBA1HTR2CSLC6A4PDK2GPR88
SCHEMBL4067425 0.92 GBA1 (0.37) GBA1HTR2CSLC6A4PDK2GPR88
SCHEMBL1399433 0.88 HTR2C (0.42) GBA1HTR2CSLC6A4PDK2PAX8
SCHEMBL4964498 0.86 GBA1 (0.35) GBA1HTR2CSLC6A4PDK2GPR88
SCHEMBL4383284 0.85 HTR2C (0.38) GBA1HTR2CSLC6A4PDK2CCNE2
SCHEMBL7651312 0.75 HTR1A (0.47) GBA1HTR2CSLC6A4PDK2L3MBTL1
SCHEMBL2189394 0.74 TAAR1 (0.54) GBA1HTR2CSLC6A4PDK2L3MBTL1
SCHEMBL7647720 0.74 SIGMAR1 (0.42) GBA1HTR2CSLC6A4PDK2GPR88
SCHEMBL4067256 0.73 GBA1 (0.41) GBA1HTR2CSLC6A4PDK2PAX8
SCHEMBL7458715 0.72 MLYCD (0.50) HTR2CSLC6A4L3MBTL1CTSK

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 8 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
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 2257/4885HTR2C 948/4885SLC6A4 692/4885
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 GBA1 2276/4885HTR2C 73/4885SLC6A4 70/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885HTR2C 948/4885SLC6A4 692/4885

“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.