SCHEMBL903600

SCHEMBL903600

CC(C)[C@H](NC(=O)OC1(C)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TYR P14679 1/20 0.38
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALOX15 P16050 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL11826897 0.93 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1TYRLMNA
SCHEMBL11826893 0.93 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1TYRLMNA
SCHEMBL11823088 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1TYRLMNA
SCHEMBL11823092 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1NPSR1TYRLMNA
SCHEMBL14974922 0.83 TSHR (0.34) SMN1; SMN2ALDH1A1TSHR
SCHEMBL14975935 0.81 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL11821047 0.78 ALDH1A1 (0.51) ALDH1A1TYRMAPK1ALOX15FPR2
SCHEMBL11821041 0.78 ALDH1A1 (0.51) ALDH1A1TYRMAPK1ALOX15FPR2
SCHEMBL10092274 0.77 CA2 (0.34)
SCHEMBL11818724 0.77 ALDH1A1 (0.50) ALDH1A1TYRMAPK1ALOX15FPR2

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
EP-2621279-B1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9254292-B2 Fused tetracycle derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-09 US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8980920-B2 Antiviral compounds of three linked aryl moieties to treat diseases such as hepatitis C MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-20150057246-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2015-02-26 US disclosed
US-20150057246-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. 2015-02-26 US disclosed
WO-2012050848-A1 FUSED TETRACYCLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2012-04-19 WO disclosed
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040923-A1 TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040924-A1 FUSED TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2011-09-15 US disclosed
WO-2011112429-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-09-15 WO disclosed
WO-2011087740-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION (US) 2011-07-21 WO disclosed
WO-2010138791-A1 ANTIVIRAL COMPOUNDS COMPOSED OF THREE LINKED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C SCHERING CORPORATION (US) 2010-12-02 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 (3 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-20150057246-A1 SILYL-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HAVCR2, HBS1L, HBB SMN1; SMN2 397/4885ALDH1A1 373/4885NPSR1 3404/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L SMN1; SMN2 957/4885ALDH1A1 3470/4885NPSR1 4039/4885
US-20110223134-A1 FUSED TRICYCLIC SILYL COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES FOXM1, ZC3HAV1L, C1S SMN1; SMN2 593/4885ALDH1A1 743/4885NPSR1 3195/4885

“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.