SCHEMBL475722

SCHEMBL475722

CCS(=O)(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.50
WDR5 P61964 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR3C2 P08235 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.39
TPMT P51580 1/20 0.39

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
SCHEMBL475423 0.90 HPGD (0.62) HPGDLMNATDP1WDR5MAPT
SCHEMBL17211757 0.87 TDP1 (0.47) HPGDLMNATDP1WDR5MEN1
SCHEMBL5139417 0.85 HPGD (0.44) HPGDLMNATDP1WDR5MEN1
SCHEMBL17211763 0.84 THRA (0.46) HPGDLMNATDP1WDR5
SCHEMBL4191220 0.82 LMNA (0.59) HPGDLMNAWDR5MEN1KMT2A
SCHEMBL17211728 0.82 TDP1 (0.43) HPGDLMNATDP1WDR5MEN1
SCHEMBL475759 0.81 HPGD (0.70) HPGDLMNATDP1MEN1KMT2A
SCHEMBL1017480 0.81 HPGD (0.72) HPGDLMNAKMT2AHTTSMN1; SMN2
SCHEMBL475665 0.81 HPGD (0.51) HPGDLMNATDP1WDR5MEN1
SCHEMBL3447030 0.80 ALDH1A1 (0.53) HPGDTDP1WDR5MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703947-B2 Compounds for treatment of Alzheimer's disease PURDUE RESEARCH FOUNDATION (US) 2014-04-22 US disclosed
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 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-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2012-08-23 US disclosed
EP-2486006-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-08-15 EP disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
EP-2411000-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-02-01 EP disclosed
US-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2011-08-11 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
WO-2010110817-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-09-30 WO 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-2010042796-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2010-04-15 WO disclosed
WO-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 WO 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
EP-1942101-A1 SECRETASE INHIBITOR Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-09 EP 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 (7 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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP HPGD 2306/4885LMNA 1563/4885TDP1 226/4885
US-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT HPGD 536/4885LMNA 1649/4885TDP1 694/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP HPGD 1682/4885LMNA 2556/4885TDP1 369/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP HPGD 1409/4885LMNA 1507/4885TDP1 136/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP HPGD 1409/4885LMNA 1507/4885TDP1 136/4885
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 HPGD 1316/4885LMNA 846/4885TDP1 500/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP HPGD 1409/4885LMNA 1507/4885TDP1 136/4885

“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.