SCHEMBL1068543

SCHEMBL1068543

COc1nc(S(C)(=O)=O)nc2c1CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.42
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
ACHE P22303 1/20 0.33
BPTF Q12830 1/20 0.33
ADRB2 P07550 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1992191 0.79 SMN1; SMN2 (0.57) SMN1; SMN2L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL1070289 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL1067810 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL1991256 0.75 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL11277506 0.74 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL9031055 0.72 EDNRB (0.40) SMN1; SMN2L3MBTL1ALDH1A1LMNAKDM4E
SCHEMBL23599720 0.72 HTR2C (0.46) ALDH1A1HTR2CKDM4EMEN1MAPK1
SCHEMBL30598372 0.72 TUBB3 (0.49) SMN1; SMN2ALDH1A1LMNAHTR2CKDM4E
SCHEMBL30647979 0.71 POLB (0.50) SMN1; SMN2L3MBTL1ALDH1A1POLBMEN1
SCHEMBL12479725 0.71 LMNA (0.52) SMN1; SMN2ALDH1A1LMNAKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2013-11-28 US disclosed
US-8349843-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2013-01-08 US disclosed
US-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2012-04-12 US disclosed
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2011-07-21 US disclosed
US-RE42477-E1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-21 US disclosed
US-RE42462-E1 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-06-14 US disclosed
US-7863445-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2011-01-04 US disclosed
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-03-25 US disclosed
US-7601730-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2009-10-13 US disclosed
US-7582647-B2 Carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG (DE) 2009-09-01 US disclosed
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use ABBOTT GMBH & CO. KG 2004-05-13 US disclosed
US-6600043-B2 Pyramidine or triazine derivatives which specifically inhibit the binding of endothelin to the receptor BASF AKTIENGESELLSCHAFT (DE) 2003-07-29 US disclosed
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-05-02 US disclosed
EP-0785926-B1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BASF AG (DE) 2001-08-22 EP disclosed
EP-1110952-A1 Carboxylic acid derivates, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2001-06-27 EP disclosed
US-6197958-B1 CYCLOPENTAPYRIMIDINE DERIVATIVES; ENDOTHELIN RECEPTOR INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
US-5969134-A CARDIOVASCULAR DISORDERS, VASOCONSTRICTION, HYPOTENSIVE AGENTS AND RELEASE OF ENDOTHELINS BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed
US-5932730-A Carboxylic acid derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0785926-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-07-30 EP disclosed
WO-1996011914-A1 NEW CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-04-25 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 (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-20120088911-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 SMN1; SMN2 2110/4885L3MBTL1 1562/4885ALDH1A1 414/4885
US-20020052495-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 SMN1; SMN2 2020/4885L3MBTL1 1897/4885ALDH1A1 189/4885
US-20130317044-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 SMN1; SMN2 2408/4885L3MBTL1 1633/4885ALDH1A1 348/4885
US-20040092742-A1 Novel carboxylic acid derivatives, their preparation and use HCAR1, HCAR2, SUCNR1 SMN1; SMN2 2020/4885L3MBTL1 1897/4885ALDH1A1 189/4885
US-20100076188-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 SMN1; SMN2 2408/4885L3MBTL1 1633/4885ALDH1A1 348/4885
US-20110178294-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND USE HCAR1, HCAR2, HCAR3 SMN1; SMN2 2408/4885L3MBTL1 1633/4885ALDH1A1 348/4885

“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.