SCHEMBL10109656

SCHEMBL10109656

CCCCCCN1C(=O)N[C@H]2CS[C@@H](CCCCC(=O)ON3C(=O)CCC3=O)[C@H]21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.41
HLCS P50747 2/20 0.40
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGER4 P35408 4/20 0.35
PTGER3 P43115 3/20 0.35
PTGER2 P43116 3/20 0.35
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
IDE P14735 1/20 0.34
MAPK1 P28482 1/20 0.34
RIN1 Q13671 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 2/20 0.34
GBA1 P04062 1/20 0.34
CNR2 P34972 2/20 0.33
HPSE Q9Y251 1/20 0.33

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
SCHEMBL19751618 1.00 TDP1 (0.41) TDP1HLCSKMT2ASMN1; SMN2PTGER4
SCHEMBL10109657 0.96 TDP1 (0.42) TDP1HLCSKMT2ASMN1; SMN2MEN1
SCHEMBL19751665 0.96 TDP1 (0.42) TDP1HLCSKMT2ASMN1; SMN2MEN1
SCHEMBL10109654 0.92 CNR1 (0.44) TDP1HLCSSMN1; SMN2CNR1CNR2
SCHEMBL19751725 0.89 TDP1 (0.44) TDP1HLCSKMT2AMEN1ABL1
SCHEMBL4962673 0.89 TDP1 (0.44) TDP1HLCSKMT2AMEN1ABL1
SCHEMBL19751623 0.87 F2 (0.45) SMN1; SMN2PKMCNR1GBA1CNR2
SCHEMBL4968358 0.87 F2 (0.45) SMN1; SMN2PKMCNR1GBA1CNR2
SCHEMBL4965905 0.87 TDP1 (0.55) TDP1HLCSKMT2APTGER4PTGER3
SCHEMBL19751768 0.87 TDP1 (0.55) TDP1HLCSKMT2APTGER4PTGER3

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 4350/4885HLCS 2/4885KMT2A 4122/4885
US-20140011255-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885HLCS 2/4885KMT2A 4122/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885HLCS 2/4885KMT2A 4122/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP TDP1 4350/4885HLCS 2/4885KMT2A 4122/4885

“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.