SCHEMBL7595706

SCHEMBL7595706

CC(C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
NR1H4 Q96RI1 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL7602657 0.81 CA1 (0.36) ALDH1A1NR1H4CA1CA2
SCHEMBL15423452 0.78 ALDH1A1 (0.36) ALDH1A1NPSR1CA12CA1CA2
SCHEMBL15423458 0.78 ALDH1A1 (0.40) ALDH1A1NPSR1
SCHEMBL6864014 0.76 DHFR (0.31) NPSR1
SCHEMBL13729390 0.76 FFAR3 (0.35) NPSR1
SCHEMBL19447702 0.75 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL16841641 0.75 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL24687410 0.71 ALDH1A1 (0.32) ALDH1A1CA12CA1CA2CA9
SCHEMBL15593749 0.71 NR1H4 (0.36) ALDH1A1NPSR1NR1H4CA12CA1
SCHEMBL15491264 0.71 NPSR1 (0.33) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114206884-A Thienopyrimidine derivatives as ACC inhibitors and uses thereof 吉利德科学公司 2022-03-18 CN disclosed
US-10335409-B2 Inhibitors of hepatitis C virus GILEAD PHARMASSET LLC (US) 2019-07-02 US disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-8987195-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
US-8828930-B2 Hepatitis C virus NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 US disclosed
US-20140057836-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-02-27 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 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 (10 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-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 ALDH1A1 1179/4885NPSR1 4173/4885NR1H4 622/4885
US-20140057836-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, TMPRSS15, CTSC ALDH1A1 1222/4885NPSR1 3713/4885NR1H4 368/4885
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 125/4885NPSR1 3473/4885NR1H4 18/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885NPSR1 3244/4885NR1H4 15/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885NPSR1 3244/4885NR1H4 15/4885
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC ALDH1A1 883/4885NPSR1 3898/4885NR1H4 174/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885NPSR1 3899/4885NR1H4 16/4885
US-10335409-B2 Inhibitors of hepatitis C virus HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885NPSR1 3244/4885NR1H4 15/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ALDH1A1 112/4885NPSR1 3244/4885NR1H4 15/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ALDH1A1 200/4885NPSR1 3899/4885NR1H4 16/4885

“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.