SCHEMBL4965402

SCHEMBL4965402

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.59
PPARG P37231 3/20 0.42
NR2E3 Q9Y5X4 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
ABL1 P00519 2/20 0.40
IDE P14735 2/20 0.40
RIN1 Q13671 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HPSE Q9Y251 1/20 0.34
TSHR P16473 1/20 0.34
HLCS P50747 3/20 0.34
GAA P10253 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL4962526 0.90 TDP1 (0.50) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL18501101 0.86 TDP1 (0.44) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL4963267 0.86 TDP1 (0.44) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL17634444 0.85 TDP1 (0.44) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL21514080 0.84 TDP1 (0.42) TDP1L3MBTL1ABL1IDERIN1
SCHEMBL710629 0.84 TDP1 (0.56) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL14563008 0.84 TDP1 (0.56) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL19751695 0.84 TDP1 (0.56) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL13049589 0.84 TDP1 (0.56) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL16471797 0.82 TDP1 (0.41) TDP1L3MBTL1ABL1IDERIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731982-B2 Biotin derivatives Life Technologies Corporation 2023-08-22 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 (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-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-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.