SCHEMBL4970908

SCHEMBL4970908

COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.62
PPARG P37231 2/20 0.47
NR2E3 Q9Y5X4 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.42
ABL1 P00519 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
IDE P14735 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
RIN1 Q13671 1/20 0.42
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HLCS P50747 3/20 0.36
KAT2B Q92831 1/20 0.36
HPSE Q9Y251 1/20 0.36

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
SCHEMBL16471816 0.86 TDP1 (0.45) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL19751767 0.86 TDP1 (0.58) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL19751635 0.86 TDP1 (0.58) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL18501067 0.86 TDP1 (0.45) TDP1L3MBTL1MEN1ABL1LMNA
SCHEMBL4967996 0.86 TDP1 (0.58) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL16471804 0.85 TDP1 (0.44) TDP1L3MBTL1MEN1ABL1LMNA
SCHEMBL4964753 0.85 TDP1 (0.46) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL26258962 0.85 TDP1 (0.46) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL14617992 0.82 TDP1 (0.57) TDP1PPARGNR2E3NCOR2L3MBTL1
SCHEMBL14393162 0.81 TDP1 (0.45) TDP1L3MBTL1MEN1ABL1LMNA

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.