SCHEMBL1611046

SCHEMBL1611046

O=C(O)C1CCS(=O)(=O)N1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.64
MMP13 P45452 4/20 0.64
MMP9 P14780 3/20 0.64
CAPN1 P07384 1/20 0.59
GYS1 P13807 9/20 0.53
MMP1 P03956 2/20 0.49
ADAM17 P78536 1/20 0.44
P2RX7 Q99572 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44

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
SCHEMBL12555621 0.85 MMP2 (0.48) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL1765109 0.84 MMP2 (0.60) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL1612206 0.83 MMP2 (0.56) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL1764820 0.83 GYS1 (0.52) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL19401544 0.82 GYS1 (0.54) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL1764734 0.82 GYS1 (0.54) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL12585492 0.79 GYS1 (0.78) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL12585487 0.79 GYS1 (0.78) MMP2MMP13MMP9CAPN1GYS1
SCHEMBL6291766 0.78 MMP2 (1.00) MMP2MMP13MMP9CAPN1MMP1
SCHEMBL26627703 0.78 MMP2 (0.50) MMP2MMP13MMP9CAPN1

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 19 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
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 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
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US 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 (5 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 MMP2 467/4885MMP13 1771/4885MMP9 2632/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MMP2 467/4885MMP13 1771/4885MMP9 2632/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MMP2 467/4885MMP13 1771/4885MMP9 2632/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 MMP2 467/4885MMP13 1771/4885MMP9 2632/4885
US-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 MMP2 1075/4885MMP13 1730/4885MMP9 338/4885

“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.