Biotin

Biotin

SCHEMBL3473268

N.N.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.97
MEN1 O00255 1/20 0.97
ABL1 P00519 1/20 0.97
LMNA P02545 1/20 0.97
PKM P14618 1/20 0.97
IDE P14735 1/20 0.97
MAPK1 P28482 1/20 0.97
KMT2A Q03164 1/20 0.97
RIN1 Q13671 1/20 0.97
L3MBTL1 Q9Y468 1/20 0.97
HLCS P50747 6/20 0.68
CA12 O43570 7/20 0.55
CA1 P00915 7/20 0.55
CA2 P00918 7/20 0.55
CA9 Q16790 7/20 0.55

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
Biotin SCHEMBL398483 1.00 TDP1 (0.97) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL36572 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL410686 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3384633 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL9841217 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23055065 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL21981206 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL20547409 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL22943835 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL59420 0.99 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1988004289-A1 NON-RADIOACTIVE NUCLEIC ACID PROBES NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1988-06-16 WO claimed
US-20100048890-A1 CONJUGATED SMALL MOLECULES DISCOVERX CORPORATION 2010-02-25 US disclosed
EP-1711825-A4 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORP (US) 2008-01-23 EP disclosed
US-7172877-B2 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-02-06 US disclosed
EP-1711825-A2 CONJUGATED SMALL MOLECULES Ambit Biosciences Corporation (US) 2006-10-18 EP disclosed
US-20050233389-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-10-20 US disclosed
WO-2005067644-A2 CONJUGATED SMALL MOLECULES AMBIT BIOSCIENCES CORPORATION (US) 2005-07-28 WO disclosed
US-20050153371-A1 Conjugated small molecules AMBIT BIOSCIENCES CORPORATION 2005-07-14 US disclosed
US-20040209317-A1 Methods and compositions for peptide and protein labeling MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-10-21 US disclosed
US-5880270-A USED IN IMMUNODIAGNOSTIC AND SEPARATION TECHNIQUES CELLPRO, INCORPORATED (US) 1999-03-09 US disclosed
US-5856571-A Semicarbazide-containing linker compounds for formation of stably-linked conjugates and methods related thereto CELLPRO, INCORPORATED (US) 1999-01-05 US disclosed
WO-1996040263-A2 SEMICARBAZIDE-CONTAINING LINKER COMPOUNDS FOR FORMATION OF STABLY-LINKED CONJUGATES AND METHODS RELATED THERETO CELLPRO, INCORPORATED (US) 1996-12-19 WO disclosed
WO-1996040662-A2 AMINOOXY-CONTAINING LINKER COMPOUNDS AND THEIR APPLICATION IN CONJUGATES CELLPRO, INCORPORATED (US) 1996-12-19 WO disclosed
US-4775745-A Diazonium compounds useful as components for nucleic acid probes NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1988-10-04 US disclosed
WO-1988004289-A1 NON-RADIOACTIVE NUCLEIC ACID PROBES NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1988-06-16 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-20100048890-A1 CONJUGATED SMALL MOLECULES ERBB2, ALK, ACP1 TDP1 3880/4885MEN1 4141/4885ABL1 12/4885
US-20050233389-A1 Methods and compositions for peptide and protein labeling HLCS, BTD, QPCTL TDP1 3223/4885MEN1 1564/4885ABL1 2145/4885
US-20050153371-A1 Conjugated small molecules ERBB2, ALK, ACP1 TDP1 3880/4885MEN1 4141/4885ABL1 12/4885

“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.