SCHEMBL2552839

SCHEMBL2552839

Nc1ncnn1C(=O)c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
ELANE P08246 10/20 0.41
PLAU P00749 2/20 0.41
HDAC1 Q13547 1/20 0.39
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
F2 P00734 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
HPGD P15428 1/20 0.34
CTRB1 P17538 1/20 0.34

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
SCHEMBL5112078 0.81 CDK1 (0.44) LCKAURKAAURKB
SCHEMBL2578137 0.77 F2 (0.46) ELANEPLAUHDAC1F2GAA
SCHEMBL16061916 0.76 CES2 (0.44) CES2CES1LCKFYNDAO
Hydrochloric Acid SCHEMBL20473908 0.75 CES2 (0.43) CES2CES1LCKFYNDAO
SCHEMBL14688363 0.72 KMT2A (0.52) CES2CES1DAOGAAALDH1A1
SCHEMBL25054011 0.70 MGAM (0.49) ELANEGAAALDH1A1
SCHEMBL12882207 0.64 CES2 (0.38) CES2CES1LCKFYNDAO
SCHEMBL826805 0.63
SCHEMBL2166098 0.62 CES2 (0.71) CES2CES1LCKFYNDAO
SCHEMBL8182714 0.62 CES2 (1.00) CES2CES1LCKFYNDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2020-05-19 US disclosed
US-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2019-05-16 US disclosed
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2019-04-09 US disclosed
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2018-08-28 US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 US disclosed
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 US disclosed
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-03-08 US disclosed
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2017-11-16 US disclosed
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-14 US disclosed
US-9687479-B2 Multisubstituted aromatic compounds as serine protease inhibitors VERSEON CORPORATION (US) 2017-06-27 US disclosed
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-09-08 US disclosed
US-20160251341-A1 SUBSTITUTED TRIAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-09-01 US disclosed
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-19 US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 US disclosed
EP-2968297-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS Verseon Corporation (US) 2016-01-20 EP disclosed
WO-2014145986-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON, INC. (US) 2014-09-18 WO disclosed
EP-2560966-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN Verseon Corporation (US) 2013-02-27 EP disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 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 (14 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-20190142813-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 CES2 2532/4885CES1 426/4885LCK 749/4885
US-20160256440-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 CES2 2532/4885CES1 426/4885LCK 749/4885
US-20170326125-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885
US-10653674-B2 Multisubstituted aromatic compounds as inhibitors of thrombin TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885
US-10251872-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 CES2 2532/4885CES1 426/4885LCK 749/4885
US-10058541-B2 Multisubstituted aromatic compounds as serine protease inhibitors SPINT2, PRSS1, SERPINB1 CES2 2532/4885CES1 426/4885LCK 749/4885
US-20160136177-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885
US-20160251341-A1 SUBSTITUTED TRIAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, SERPINB1, PRSS1 CES2 2255/4885CES1 248/4885LCK 1379/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 CES2 2532/4885CES1 426/4885LCK 749/4885
US-20170258775-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 CES2 2532/4885CES1 426/4885LCK 749/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 CES2 2783/4885CES1 531/4885LCK 1334/4885

“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.