SCHEMBL588780

SCHEMBL588780

CC(C)(C)OC(=O)NCc1ccc(C#N)s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.43
CTSS P25774 10/20 0.40
CTSK P43235 7/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPN11 Q06124 1/20 0.37

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
Hydrochloric Acid SCHEMBL589320 0.99 KDM4A (0.42) KDM4ACTSSCTSKCA12CA1
SCHEMBL31486392 0.80 KDM4A (0.44) KDM4ACTSKCA12CA1CA2
SCHEMBL130176 0.80 PRMT6 (0.47) KDM4ACA12CA1CA2CA9
SCHEMBL10266596 0.80 KDM4A (0.44) KDM4ACTSKCA12CA1CA2
SCHEMBL4951322 0.79 GPR119 (0.33) CTSSCTSKCTSLCTSB
SCHEMBL11312324 0.79 KDM4A (0.41) KDM4ACTSSCTSKCA12CA1
SCHEMBL4068147 0.78 KDM4A (0.43) KDM4ACTSKCA12CA1CA2
SCHEMBL352926 0.78 KDM4A (0.43) KDM4ACTSKCA12CA1CA2
SCHEMBL13975464 0.78 KDM4A (0.43) KDM4ACTSKCA12CA1CA2
SCHEMBL15184496 0.78 KDM4A (0.43) KDM4ACTSKCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
EP-1182207-B1 Non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORP (US) 2007-04-18 EP disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
US-6586405-B2 Therapy for blood disorders CORVAS INTERNATIONAL, INC. 2003-07-01 US disclosed
US-6541467-B1 And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. CORVAS INTERNATIONAL, INC. 2003-04-01 US disclosed
US-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. 2002-03-28 US disclosed
EP-1182207-A2 Non-covalent inhibitors of urokinase and blood vessel formation CORVAS INTERNATIONAL, INC. (US) 2002-02-27 EP disclosed
WO-2002014349-A2 NON-COVALENT INHIBITORS OF UROKINASE AND BLOOD VESSEL FORMATION CORVAS INTERNATIONAL, INC. (US) 2002-02-21 WO disclosed
WO-2001079261-A1 TETRAHYDRO-AZEPINONE DERIVATIVES AS THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 2001-10-25 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 (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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 KDM4A 2119/4885CTSS 51/4885CTSK 66/4885
US-20020037857-A1 Non-covalent inhibitors of urokinase and blood vessel formation PLAU, PLAT, PLG KDM4A 2135/4885CTSS 242/4885CTSK 54/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT KDM4A 3954/4885CTSS 2872/4885CTSK 4281/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT KDM4A 4249/4885CTSS 2630/4885CTSK 3858/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4A 2119/4885CTSS 51/4885CTSK 66/4885

“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.