SCHEMBL3512447

SCHEMBL3512447

Cc1csc([C@H]2CCCCN2C(=O)OC(C)(C)C)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
CPT1A P50416 7/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD11B1 P28845 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPT2 P23786 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UCHL1 P09936 1/20 0.41
USP30 Q70CQ3 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CPT1B Q92523 3/20 0.40

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
SCHEMBL3512446 1.00 RAB9A (0.43) RAB9ACPT1AALDH1A1HSD11B1TSHR
SCHEMBL23975518 0.83 NR1H2 (0.58) RAB9ACPT1AALDH1A1SMN1; SMN2CPT2
SCHEMBL27798797 0.83 CPT1A (0.47) RAB9ACPT1AALDH1A1SMN1; SMN2CPT2
SCHEMBL27798798 0.83 CPT1A (0.47) RAB9ACPT1AALDH1A1SMN1; SMN2CPT2
SCHEMBL2308792 0.82 HSD11B1 (0.63) CPT1AHSD11B1CPT2UCHL1USP30
SCHEMBL2308799 0.82 HSD11B1 (0.63) CPT1AHSD11B1CPT2UCHL1USP30
SCHEMBL2307670 0.82 CPT1A (0.66) CPT1AHSD11B1CPT2CPT1B
SCHEMBL2307678 0.82 CPT1A (0.66) CPT1AHSD11B1CPT2CPT1B
SCHEMBL6468249 0.82 HSD11B1 (0.45) CPT1AALDH1A1HSD11B1TSHRL3MBTL1
SCHEMBL1276060 0.82 NR1H2 (0.44) CPT1AALDH1A1HSD11B1TSHRCPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 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 (1 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-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 RAB9A 2364/4885CPT1A 2956/4885ALDH1A1 1430/4885

“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.