SCHEMBL15042845

SCHEMBL15042845

CC(C)c1ccc2c(c1)CS(=O)(=O)Cc1nc(C(C)C)[nH]c1-2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
EIF4A3 P38919 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
SCHEMBL12294482 0.82 KDM4E (0.36) NPSR1KDM4EHPGDGFERHSD17B10
SCHEMBL2707318 0.81 KDM4E (0.35) NPSR1KDM4EHPGDGFERHSD17B10
SCHEMBL10118797 0.81 NPSR1 (0.36) NPSR1KDM4EHSD17B10LMNACHRNB2
SCHEMBL10118796 0.79 PSMB5 (0.36) NPSR1KDM4EHPGDGFERHSD17B10
SCHEMBL10118798 0.79 KDM4E (0.36) NPSR1KDM4EHPGDGFERHSD17B10
SCHEMBL15042870 0.76 KDM4E (0.35) NPSR1KDM4EHPGDGFERHSD17B10
SCHEMBL17973035 0.75 CYP17A1 (0.34) NPSR1KDM4EHPGDGFERHSD17B10
SCHEMBL18374094 0.72 KDM4E (0.34) KDM4EHSD17B10MEN1KMT2A
SCHEMBL10118794 0.71 KDM4E (0.33) KDM4EHSD17B10LMNASCN10A
SCHEMBL15042818 0.71 MEN1 (0.35) KDM4EHPGDGFERHSD17B10MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (2 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 NPSR1 2897/4885KDM4E 2635/4885HPGD 984/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L NPSR1 4039/4885KDM4E 2910/4885HPGD 3077/4885

“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.