SCHEMBL14930633

SCHEMBL14930633

COC(=O)NCC(C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.32
TET2 Q6N021 1/20 0.32
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12741108 0.82 TDP1 (0.48) EPHX1ALDH1A1TSHRTDP1
SCHEMBL4730960 0.80 EPHX1 (0.41) EPHX1ALDH1A1TSHRTET2RECQL
SCHEMBL15033686 0.78 EPHX1 (0.40) EPHX1TSHRTET2RECQLTDP1
SCHEMBL12707471 0.77 EPHX1 (0.45) EPHX1TSHRTET2TDP1
SCHEMBL22680370 0.76 EPHX1 (0.39) EPHX1TSHRTET2RECQLTDP1
SCHEMBL15614667 0.76 EPHX1 (0.39) EPHX1ALDH1A1TSHRTET2RECQL
SCHEMBL20863002 0.76 NPSR1 (0.36) ALDH1A1TSHRRECQL
SCHEMBL14930611 0.76 RECQL (0.41) ALDH1A1TSHRTET2RECQL
SCHEMBL12741104 0.75 KDM4E (0.40) EPHX1ALDH1A1TSHR
SCHEMBL28649387 0.74 EPHX1 (0.38) EPHX1TSHRTET2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667613-B2 Antiviral pyrazolopyridinone compounds NOVARTIS AG (CH) 2023-06-06 US disclosed
US-20210130302-A1 Antiviral Pyrazolopyridinone Compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC 2021-05-06 US disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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 (4 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF EPHX1 1488/4885ALDH1A1 704/4885TSHR 4320/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF EPHX1 1488/4885ALDH1A1 704/4885TSHR 4320/4885
US-11667613-B2 Antiviral pyrazolopyridinone compounds ZC3HAV1, TYMP, ZC3HAV1L EPHX1 2121/4885ALDH1A1 1776/4885TSHR 4170/4885
US-20210130302-A1 Antiviral Pyrazolopyridinone Compounds ZC3HAV1, TYMP, ZC3HAV1L EPHX1 2121/4885ALDH1A1 1776/4885TSHR 4170/4885

“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.