SCHEMBL4963267

SCHEMBL4963267

COC(=O)CCCC[C@H]1[C@H]2NC(=S)N[C@H]2CS1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
PPARG P37231 2/20 0.37
NR2E3 Q9Y5X4 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
AMPD2 Q01433 1/20 0.32
AMPD1 P23109 1/20 0.31
GAA P10253 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
SCHEMBL4965402 0.86 TDP1 (0.59) TDP1PPARGNR2E3NCOR2MAPT
SCHEMBL18501101 0.85 TDP1 (0.44) TDP1PPARGNR2E3NCOR2MAPT
SCHEMBL16471803 0.85
SCHEMBL19751691 0.85 TDP1 (0.39) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL21514073 0.85 GAA (0.33) GAA
SCHEMBL4970357 0.85 TDP1 (0.39) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL4964756 0.82 TDP1 (0.31) TDP1
SCHEMBL19751731 0.82 TDP1 (0.31) TDP1
SCHEMBL19751621 0.82 TDP1 (0.31) TDP1
SCHEMBL4962526 0.78 TDP1 (0.50) TDP1PPARGNR2E3NCOR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731982-B2 Biotin derivatives Life Technologies Corporation 2023-08-22 US disclosed
US-11731982-B2 Biotin derivatives Life Technologies Corporation 2023-08-22 US disclosed
US-20190322681-A1 Biotin Derivatives LIFE TECHNOLOGIES AS (NO) 2019-10-24 US disclosed
EP-2633062-B1 BIOTIN DERIVATIVES LIFE TECHNOLOGIES CORP (US) 2017-12-27 EP disclosed
US-20170174700-A1 Biotin Derivatives Life Technologies Corporation 2017-06-22 US disclosed
US-20170174700-A1 Biotin Derivatives Life Technologies Corporation 2017-06-22 US disclosed
US-9567346-B2 Biotin derivatives Life Technologies Corporation (US) 2017-02-14 US disclosed
US-9567346-B2 Biotin derivatives Life Technologies Corporation (US) 2017-02-14 US disclosed
US-20140011255-A1 Biotin Derivatives Life Technologies Corporation (US) 2014-01-09 US disclosed
US-20140011255-A1 Biotin Derivatives Life Technologies Corporation (US) 2014-01-09 US disclosed
WO-2012058635-A1 BIOTIN DERIVATIVES Life Technologies Corporation (US) 2012-05-03 WO 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-11731982-B2 Biotin derivatives BTD, HLCS, BRI3BP TDP1 4350/4885PPARG 1919/4885NR2E3 2875/4885
US-20140011255-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885PPARG 1919/4885NR2E3 2875/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885PPARG 1919/4885NR2E3 2875/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885PPARG 1919/4885NR2E3 2875/4885

“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.