SCHEMBL2399697

SCHEMBL2399697

Cc1csc(CCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FFAR1 O14842 4/20 0.44
LTB4R Q15722 4/20 0.42
KDM4C Q9H3R0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
DDAH1 O94760 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
NR4A2 P43354 1/20 0.38
KEAP1 Q14145 1/20 0.36

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
SCHEMBL2037474 0.89 LTB4R (0.48) DAONPSR1LTB4RKDM4CALDH1A1
SCHEMBL8855371 0.85 DAO (0.42) DAONPSR1FFAR1LTB4RKDM4C
SCHEMBL8540112 0.83 DAO (0.41) DAOFFAR1LTB4RKDM4CALDH1A1
SCHEMBL7354171 0.81 IAPP (0.41) DAOFFAR1LTB4RKDM4CALDH1A1
SCHEMBL3939509 0.80 RPS6KB2 (0.42) DAOKDM4CALDH1A1
SCHEMBL1551106 0.80 DAO (0.50) DAOKDM4CALDH1A1SMN1; SMN2KEAP1
SCHEMBL20604279 0.78 LTB4R (0.43) DAONPSR1FFAR1LTB4RALDH1A1
SCHEMBL17713714 0.78 DAO (0.48) DAOKDM4CALDH1A1SMN1; SMN2
SCHEMBL10796376 0.78 DAO (0.41) DAOFFAR1LTB4RKDM4CKDM4E
SCHEMBL25250901 0.77 LTB4R (0.49) DAONPSR1FFAR1LTB4RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542549-B1 INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-05-11 EP disclosed
US-9181233-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-11-10 US disclosed
EP-2542549-A2 INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-01-09 EP disclosed
US-20110224259-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-15 US disclosed
WO-2011107530-A2 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-09-09 WO disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-5414108-A From a Meldrum's acid derivative BIOGAL GYOGYSZERGRAR (HU) 1995-05-09 US disclosed
US-5350872-A Decyclization and decarboxylation of a 1,3-dioxane-4,6-dione BIOGAL GYOGYSZERGRAR (HU) 1994-09-27 US disclosed
EP-0578850-A1 Process for the preparation of carboxylic acids and derivatives of them BIOGAL GYOGYSZERGYAR (HU) 1994-01-19 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 (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-20110224259-A1 NOVEL INHIBITORS QPCT, GLUL, GLS DAO 60/4885NPSR1 4211/4885FFAR1 3916/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 DAO 1438/4885NPSR1 3344/4885FFAR1 4682/4885

“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.