SCHEMBL5532985

SCHEMBL5532985

CC(C)C(C)(C)C(=O)NCC#N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.46
CTSK P43235 15/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44

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
SCHEMBL13758095 0.82 CTSS (0.36) CTSSCTSKCTSLCTSB
SCHEMBL8691068 0.78 CTSK (0.40) CTSSCTSKCTSLCTSB
SCHEMBL18907822 0.76 MMP8 (0.34)
SCHEMBL2746199 0.74 CTSS (0.38) CTSSCTSKCTSLCTSB
SCHEMBL18909748 0.74 CYP2D6 (0.50)
SCHEMBL17447513 0.73 CTSS (0.40) CTSSCTSKCTSLCTSB
SCHEMBL5541518 0.72 ALDH1A1 (0.47)
SCHEMBL14108227 0.72 ALDH1A1 (0.41)
SCHEMBL3884426 0.71 ALDH1A1 (0.50) CTSSCTSKCTSL
SCHEMBL10266048 0.71 TET2 (0.47)

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-10941158-B2 Pyrazole ACC inhibitors and uses thereof GILEAD APOLLO, LLC (US) 2021-03-09 US disclosed
EP-3380478-B1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO LLC (US) 2020-12-23 EP disclosed
WO-2017091600-A9 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2018-07-19 WO disclosed
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
US-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF Nimbus Apollo, Inc. 2017-06-15 US disclosed
WO-2017091602-A1 ESTER ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
WO-2017091600-A1 PYRAZOLE ACC INHIBITORS AND USES THEREOF GILEAD APOLLO, LLC (US) 2017-06-01 WO disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 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-20170166583-A1 ESTER ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT2 CTSS 1697/4885CTSK 1234/4885CTSL 2612/4885
US-10941158-B2 Pyrazole ACC inhibitors and uses thereof ACACA, ACACB, PC CTSS 2678/4885CTSK 1399/4885CTSL 3177/4885
US-20170166584-A1 TRIAZOLE ACC INHIBITORS AND USES THEREOF ACACA, ACACB, ACAT1 CTSS 2353/4885CTSK 1145/4885CTSL 3337/4885

“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.