SCHEMBL733134

SCHEMBL733134

C=CCCCC(C)(C)CO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ABCC4 O15439 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 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
SCHEMBL3123097 0.93 TSHR (0.41) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL733256 0.85
SCHEMBL4646811 0.85 TSHR (0.48) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL4907996 0.81 TSHR (0.40) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL17669223 0.79 ALDH1A1 (0.39) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL8960642 0.78 TSHR (0.48) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL3681916 0.78 TSHR (0.48) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL9123476 0.76 TSHR (0.52) TSHRALDH1A1ABCC4MAPTLMNA
SCHEMBL5434121 0.76 ACLY (0.52) MAPTLMNAFFAR1CPT2TDP1
SCHEMBL6270199 0.76 FFAR1 (0.43) TSHRALDH1A1LMNAFFAR1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2025-06-19 US disclosed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 US disclosed
EP-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-2083844-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-11-27 EP disclosed
US-8377874-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-02-19 US disclosed
EP-1913016-B1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-01-16 EP disclosed
EP-2178902-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2012-11-28 EP disclosed
US-8278322-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100286185-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-11-11 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 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 (6 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC TSHR 4610/4885ALDH1A1 1199/4885ABCC4 900/4885
US-20100317623-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC TSHR 4610/4885ALDH1A1 1199/4885ABCC4 900/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC TSHR 4610/4885ALDH1A1 1199/4885ABCC4 900/4885
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 TSHR 1576/4885ALDH1A1 2639/4885ABCC4 2935/4885
US-20250197420-A1 MACROCYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THEREOF CFTR, ABCB1, PKD1 TSHR 2935/4885ALDH1A1 3545/4885ABCC4 5/4885
US-20100286185-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC TSHR 4610/4885ALDH1A1 1199/4885ABCC4 900/4885

“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.