SCHEMBL3975488

SCHEMBL3975488

CCCN(CCC(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.42
CA12 O43570 3/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 1/20 0.39
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SRD5A1 P18405 1/20 0.33
SSTR4 P31391 1/20 0.32
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
NFKB1 P19838 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
SCHEMBL2608081 0.89 CA14 (0.49) CA14CA12CA1CA7HDAC6
SCHEMBL17149486 0.87 CA14 (0.40) CA14CA12CA1CA7HDAC6
SCHEMBL12665096 0.87 CA14 (0.48) CA14CA12CA1CA7HDAC6
SCHEMBL17987028 0.86 CA14 (0.45) CA14CA12CA1CA7HDAC6
SCHEMBL23624124 0.83 CA14 (0.44) CA14CA12CA1CA7HDAC6
SCHEMBL24137970 0.83 CA14 (0.40) CA14HDAC6HDAC1HDAC2SSTR4
SCHEMBL1031568 0.81 CA14 (0.47) CA14CA12CA1CA7HDAC6
SCHEMBL8285770 0.81 CA14 (0.51) CA14CA12CA1CA7HDAC6
SCHEMBL20045144 0.81 CA14 (0.39) CA14CA12CA1CA7HDAC6
SCHEMBL10267170 0.81 CA12 (0.43) CA14CA12CA1CA7HDAC6

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
WO-2021260392-A1 POLYMER IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2021-12-30 WO disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP disclosed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO disclosed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 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 (1 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-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 CA14 2694/4885CA12 2819/4885CA1 3209/4885

“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.