SCHEMBL4967996

SCHEMBL4967996

CN1C(=O)N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.58
ABL1 P00519 2/20 0.58
IDE P14735 2/20 0.58
RIN1 Q13671 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
PKM P14618 1/20 0.58
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HLCS P50747 5/20 0.39
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19751767 1.00 TDP1 (0.58) TDP1ABL1IDERIN1MEN1
SCHEMBL19751635 1.00 TDP1 (0.58) TDP1ABL1IDERIN1MEN1
SCHEMBL14132572 0.90 TDP1 (0.45) TDP1ABL1IDERIN1MEN1
SCHEMBL18501067 0.89 TDP1 (0.45) TDP1ABL1IDERIN1MEN1
SCHEMBL16471816 0.89 TDP1 (0.45) TDP1ABL1IDERIN1MEN1
SCHEMBL4970908 0.86 TDP1 (0.62) TDP1ABL1IDERIN1MEN1
SCHEMBL16471804 0.86 TDP1 (0.44) TDP1ABL1IDERIN1MEN1
SCHEMBL29620220 0.84 TDP1 (0.55) TDP1ABL1IDERIN1MEN1
SCHEMBL3423752 0.84 TDP1 (0.58) TDP1ABL1IDERIN1MEN1
SCHEMBL18386701 0.84 TDP1 (0.58) TDP1ABL1IDERIN1MEN1

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 4350/4885ABL1 4047/4885IDE 2647/4885
US-20140011255-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885ABL1 4047/4885IDE 2647/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885ABL1 4047/4885IDE 2647/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885ABL1 4047/4885IDE 2647/4885

“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.