SCHEMBL10217643

SCHEMBL10217643

COC(=O)/C=C/[C@@H](N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GFPT1 Q06210 1/20 0.41
SLC7A5 Q01650 1/20 0.38
CTSL P07711 1/20 0.35
LAP3 P28838 5/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33

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
SCHEMBL10217574 0.80 HCAR2 (0.48) HCAR2KEAP1NFE2L2GFPT1GABRP
SCHEMBL25689289 0.80 HCAR2 (0.48) HCAR2KEAP1NFE2L2GFPT1GABRP
SCHEMBL8078162 0.77
SCHEMBL17275419 0.77
SCHEMBL17275421 0.77
SCHEMBL17275423 0.77
SCHEMBL8078133 0.77
SCHEMBL9101136 0.76 SLC7A5 (0.32) SLC7A5
Hydrochloric Acid SCHEMBL384069 0.75 GABRP (0.54) HCAR2KEAP1NFE2L2GFPT1GABRP
Hydrochloric Acid SCHEMBL384860 0.75 GABRP (0.54) HCAR2KEAP1NFE2L2GFPT1GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF SORRENTO THERAPEUTICS, INC. 2018-03-29 US disclosed
US-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF SORRENTO THERAPEUTICS, INC. 2018-03-29 US disclosed
US-9801951-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2017-10-31 US disclosed
US-9801951-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2017-10-31 US disclosed
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned subsidary of Sorrento Therapeutics, Inc, (US) 2015-05-21 US disclosed
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned subsidary of Sorrento Therapeutics, Inc, (US) 2015-05-21 US disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (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-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF ABCG2, UGT2B7, UGT1A9 HCAR2 700/4885KEAP1 1203/4885NFE2L2 4204/4885
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof ABCG2, UGT2B7, UGT1A9 HCAR2 700/4885KEAP1 1203/4885NFE2L2 4204/4885
US-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS HCAR2 1386/4885KEAP1 1468/4885NFE2L2 425/4885

“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.