SCHEMBL14930614

SCHEMBL14930614

CNC(=O)NCC(C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
KMT2A Q03164 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
SCHEMBL23956800 0.80 HSD17B10 (0.32) HSD17B10KEAP1NFE2L2
SCHEMBL9278494 0.80 HSD17B10 (0.36) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL8368739 0.78 CNR1 (0.37) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL12707754 0.77 KEAP1 (0.38) HSD17B10KEAP1NFE2L2KMT2A
SCHEMBL10458849 0.76 HSD17B10 (0.34) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL12741104 0.75 KDM4E (0.40) HSD17B10
SCHEMBL6286736 0.74 HSD17B10 (0.33) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL20218457 0.74 HSD17B10 (0.35) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL6289597 0.74 HSD17B10 (0.33) HSD17B10KEAP1NFE2L2ADRB2ADRB1
SCHEMBL6284942 0.74 HSD17B10 (0.35) HSD17B10KEAP1NFE2L2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629889-B1 RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RES & DEV (IL) 2019-04-03 EP 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 (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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF HSD17B10 382/4885KEAP1 538/4885NFE2L2 2915/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF HSD17B10 382/4885KEAP1 538/4885NFE2L2 2915/4885

“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.