Sugi Predict

Sugi Predict / Compounds / SCHEMBL4965653

SCHEMBL4965653

SCHEMBL4965653

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ IDE P14735 2/20 0.46
▸ RIN1 Q13671 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FOLH1 Q04609 2/20 0.43
▸ PLCD1 P51178 1/20 0.40
▸ CAPN1 P07384 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ PPARG P37231 2/20 0.39

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
SCHEMBL19751702 1.00 TDP1 (0.48) TDP1L3MBTL1ABL1IDERIN1
SCHEMBL18501099 0.91 TDP1 (0.48) TDP1L3MBTL1FOLH1PLCD1CAPN1
SCHEMBL13049592 0.90 TDP1 (0.48) TDP1L3MBTL1FOLH1PLCD1CAPN1
SCHEMBL3758250 0.90 TDP1 (0.48) TDP1L3MBTL1FOLH1PLCD1CAPN1
SCHEMBL13049465 0.90 TDP1 (0.48) TDP1L3MBTL1FOLH1PLCD1CAPN1
SCHEMBL13080217 0.90 TDP1 (0.48) TDP1L3MBTL1FOLH1PLCD1CAPN1
SCHEMBL4962526 0.89 TDP1 (0.50) TDP1L3MBTL1FOLH1PLCD1CAPN1
SCHEMBL710629 0.89 TDP1 (0.56) TDP1L3MBTL1ABL1IDERIN1
SCHEMBL14563008 0.89 TDP1 (0.56) TDP1L3MBTL1ABL1IDERIN1
SCHEMBL19751695 0.89 TDP1 (0.56) 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 7 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-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-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
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 4350/4885L3MBTL1 1468/4885ABL1 4047/4885
US-20140011255-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885L3MBTL1 1468/4885ABL1 4047/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885L3MBTL1 1468/4885ABL1 4047/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885L3MBTL1 1468/4885ABL1 4047/4885

“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.