SCHEMBL475723

SCHEMBL475723

CN(c1cc(C(=O)O)cc(C(=O)O)c1)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.40
TPMT P51580 1/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 4/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
BACE1 P56817 3/20 0.38

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
SCHEMBL7864565 0.93 LCK (0.40) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL165562 0.88 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4ENPSR1
SCHEMBL3598487 0.88 ALDH1A1 (0.38) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL8155821 0.85 BACE1 (0.41) TPMTLMNASMN1; SMN2BACE1
SCHEMBL5139418 0.85 UNG (0.41) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL4751276 0.84 CA12 (0.38) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL3863169 0.83 RAB9A (0.38) LCKFYNMEN1KMT2AKDM4E
SCHEMBL27629829 0.83 BACE1 (0.36) LCKFYNALDH1A1MEN1KMT2A
SCHEMBL30006467 0.82 LMNA (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3855094 0.82 LMNA (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA

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 24 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-7816387-B2 β secretase inhibitor DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-10-19 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-2010042892-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2010-04-15 WO disclosed
WO-2010042796-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PURDUE RESEARCH FOUNDATION (US) 2010-04-15 WO disclosed
US-20090198056-A1 Beta secretase inhibitor KISO, YOSHIAKI (JP) 2009-08-06 US 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 (6 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-20090198056-A1 Beta secretase inhibitor BACE1, BACE2, APP LCK 3515/4885FYN 242/4885ALDH1A1 2130/4885
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP LCK 3496/4885FYN 960/4885ALDH1A1 3031/4885
US-20110195978-A1 COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE PSEN2, PSEN1, CHAT LCK 3002/4885FYN 709/4885ALDH1A1 1222/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP LCK 3992/4885FYN 1931/4885ALDH1A1 2955/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP LCK 3992/4885FYN 1931/4885ALDH1A1 2955/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP LCK 3992/4885FYN 1931/4885ALDH1A1 2955/4885

“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.