SCHEMBL288928

SCHEMBL288928

COc1cccc(CNC(CCC(=O)O)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 2/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MMP13 P45452 1/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 2/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL288927 1.00 MEP1B (0.56) MEP1BMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL2248276 0.90 MEN1 (0.51) MEN1KMT2ACYP1A2ALDH1A1HTT
SCHEMBL2248272 0.90 MEN1 (0.51) MEP1BMEN1KMT2ACYP1A2ALDH1A1
SCHEMBL29213358 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL30903297 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL29213363 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL31229321 0.84 FFAR1 (0.53) MEP1BALDH1A1
Hydrochloric Acid SCHEMBL27792421 0.83 FFAR1 (0.52) MEP1BALDH1A1
SCHEMBL31419850 0.81 MEP1B (0.61) MEP1BMMP13
SCHEMBL3958633 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427429-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2017-02-15 EP disclosed
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
CN-102482212-B Carboxamide compounds and they are as the purposes of calpain inhibitor ABBVIE (US) 2015-08-26 CN disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 US disclosed
US-8236798-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2012-08-07 US disclosed
CN-102482212-A Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO KG 2012-05-30 CN disclosed
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 EP disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 WO disclosed
US-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 US 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 (4 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-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MEP1B 1506/4885MEN1 4503/4885KMT2A 1409/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MEP1B 1506/4885MEN1 4503/4885KMT2A 1409/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MEP1B 1506/4885MEN1 4503/4885KMT2A 1409/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MEP1B 1506/4885MEN1 4503/4885KMT2A 1409/4885

“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.