SCHEMBL3511154

SCHEMBL3511154

COC(=O)c1cc(C(=O)OC)cc(-c2cccc(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.55
▸ SLC6A2 P23975 1/20 0.54
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ PLAU P00749 1/20 0.51
▸ ERN1 O75460 3/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ ADRB2 P07550 1/20 0.48
▸ ADRB1 P08588 1/20 0.48
▸ ADRB3 P13945 1/20 0.48
▸ MAPK14 Q16539 1/20 0.47
▸ HSD17B3 P37058 1/20 0.46
▸ MAPT P10636 3/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46

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
SCHEMBL7827008 0.92 PLAU (0.59) SLC6A3SLC6A2RXRARXRBPLAU
SCHEMBL8444016 0.87 RXRA (0.65) RXRARXRBPLAUERN1CA12
SCHEMBL8440378 0.84 ALDH1A1 (0.60) RXRARXRBCA12CA1CA2
SCHEMBL31418356 0.83 TSHR (0.53) SLC6A3RXRARXRBPLAUCA12
SCHEMBL4592371 0.83 CYP11B1 (0.58) SLC6A3SLC6A2PLAUGABRG2GABRB3
SCHEMBL27462605 0.81 SLC6A3 (0.51) SLC6A3SLC6A2PLAUERN1CA12
SCHEMBL21044221 0.81 SLC6A3 (0.52) SLC6A3SLC6A2PLAUMAPTL3MBTL1
SCHEMBL7823750 0.80 TSHR (0.63) CA12CA1CA2CA9MAPT
SCHEMBL29406761 0.80 RAB9A (0.59) MAPTL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL642345 0.80 RAB9A (0.59) MAPTL3MBTL1NPC1RAB9AALDH1A1

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 14 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
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
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
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
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
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
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 — — US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 — — US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 — — US disclosed
EP-2205596-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. (US) 2010-07-14 — — EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 — — EP disclosed
WO-2009042694-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. (US) 2009-04-02 — — WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 — — WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 — — WO 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-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP SLC6A3 1803/4885SLC6A2 1966/4885RXRA 4139/4885
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 SLC6A3 4274/4885SLC6A2 4469/4885RXRA 3760/4885

“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.

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