SCHEMBL1666872

SCHEMBL1666872

CC(C)N(c1cc(-c2ccccc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
PTPRF P10586 1/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 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
SCHEMBL102322 1.00 KDM4E (0.42) KDM4EHTTATMPTPRFPTPN1
SCHEMBL3809144 0.94 KDM4E (0.40) KDM4EHTTATMPTPRFPTPN1
SCHEMBL2157604 0.93 HSD17B1 (0.39) KDM4EMAPT
SCHEMBL2157591 0.92 KDM4E (0.42) KDM4EHTTATMPTPRFPTPN1
SCHEMBL2876741 0.92 POLB (0.41) KDM4EHTTATMMAPT
SCHEMBL14521764 0.90 IKBKB (0.34) KDM4EHTTATMPTPRFPTPN1
SCHEMBL2157715 0.90 PTPN1 (0.41) KDM4EPTPN1MAPT
SCHEMBL4156123 0.90 PTPN1 (0.41) KDM4EPTPN1MAPT
SCHEMBL2158018 0.90 IKBKB (0.44) KDM4EPTPN1MAPT
SCHEMBL14042870 0.90 IKBKB (0.34) KDM4EHTTATMPTPRFPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206678-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-07-21 US disclosed
US-20160206678-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-07-21 US disclosed
US-20160031927-A1 Alkyl 2--propionates, nucleoside inhibitors of HCV RNA-polymerase NS5B, methods for preparation and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (RU) 2016-02-04 US disclosed
US-20160031927-A1 Alkyl 2--propionates, nucleoside inhibitors of HCV RNA-polymerase NS5B, methods for preparation and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (RU) 2016-02-04 US disclosed
US-20150164884-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2015-06-18 US disclosed
US-20150164884-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2015-06-18 US disclosed
US-20130029904-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029904-A1 HCV COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-8158779-B2 Antiviral nucleosides MEDIVIR AB (SE) 2012-04-17 US disclosed
US-8158779-B2 Antiviral nucleosides MEDIVIR AB (SE) 2012-04-17 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-7531534-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7479489-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-01-20 US disclosed
WO-2009000818-A1 3-CARBONYLAMINOTHIOPHENE-2-CARBOXYLIC ACIDS AS HEPATITIS C VIRUS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080152621-A1 Antiviral nucleosides ROCHE PALO ALTO LLC 2008-06-26 US disclosed
US-20080095739-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2008-04-24 US disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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 (8 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-20080152621-A1 Antiviral nucleosides PNP, MTAP, UMPS KDM4E 740/4885HTT 3651/4885ATM 3842/4885
US-20080095739-A1 Heterocyclic antiviral compounds EIF2AK2, POLR2A, HCCS KDM4E 2451/4885HTT 3112/4885ATM 3649/4885
US-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E KDM4E 2519/4885HTT 2341/4885ATM 4443/4885
US-20150164884-A1 HCV COMBINATION THERAPY HAVCR2, ZC3HAV1, SLC10A1 KDM4E 3998/4885HTT 3020/4885ATM 4498/4885
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS KDM4E 794/4885HTT 3552/4885ATM 4348/4885
US-20160206678-A1 HCV COMBINATION THERAPY HAVCR2, ZC3HAV1, SLC10A1 KDM4E 3998/4885HTT 3020/4885ATM 4498/4885
US-20160031927-A1 Alkyl 2--propionates, nucleoside inhibitors of HCV RNA-polymerase NS5B, methods for preparation and use thereof RNGTT, NSUN2, MED1 KDM4E 2842/4885HTT 2193/4885ATM 3790/4885
US-20130029904-A1 HCV COMBINATION THERAPY HAVCR2, ZC3HAV1, SLC10A1 KDM4E 3965/4885HTT 2583/4885ATM 4411/4885

“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.