SCHEMBL6864014

SCHEMBL6864014

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL13729390 0.81 FFAR3 (0.35) NPSR1
SCHEMBL24687410 0.76 ALDH1A1 (0.32)
SCHEMBL15593749 0.76 NR1H4 (0.36) NPSR1
SCHEMBL7595706 0.76 ALDH1A1 (0.37) NPSR1
SCHEMBL15424467 0.74 DHFR (0.34) DHFRTSHRSMN1; SMN2TDP1
SCHEMBL15424476 0.74 DHFR (0.31) DHFRTSHRSMN1; SMN2TDP1
SCHEMBL12831778 0.74 CCNT1 (0.33) SMN1; SMN2
SCHEMBL20629742 0.71 NPC1 (0.33) SMN1; SMN2
SCHEMBL15423569 0.71
SCHEMBL6124841 0.71 CA12 (0.44) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118576-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2023-06-29 WO disclosed
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP 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-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP 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-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
WO-2014145095-A1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-09-18 WO 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
WO-2014025736-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-02-13 WO 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
WO-2012151195-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-08 WO disclosed
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP (US) 2012-05-17 US disclosed
WO-2011014487-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-02-03 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-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 DHFR 1827/4885TSHR 4632/4885SMN1; SMN2 4494/4885
US-20140057836-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, TMPRSS15, CTSC DHFR 967/4885TSHR 4133/4885SMN1; SMN2 4500/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 DHFR 251/4885TSHR 4413/4885SMN1; SMN2 4128/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 DHFR 251/4885TSHR 4413/4885SMN1; SMN2 4128/4885
US-20120121624-A1 HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC DHFR 966/4885TSHR 4569/4885SMN1; SMN2 4560/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC DHFR 395/4885TSHR 4016/4885SMN1; SMN2 4556/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 DHFR 251/4885TSHR 4413/4885SMN1; SMN2 4128/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC DHFR 395/4885TSHR 4016/4885SMN1; SMN2 4556/4885

“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.