SCHEMBL4968358

SCHEMBL4968358

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
FOLH1 Q04609 6/20 0.40
PKM P14618 2/20 0.39
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
HSP90AB1 P08238 1/20 0.36
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
NOXO1 Q8NFA2 1/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL19751623 1.00 F2 (0.45) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4974927 0.97 F2 (0.44) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751667 0.97 F2 (0.44) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751762 0.92 F2 (0.47) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10109654 0.91 CNR1 (0.44) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL2731793 0.91 PRSS1 (0.46) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751638 0.91 PRSS1 (0.46) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4966737 0.91 F2 (0.48) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4970859 0.88 PRSS1 (0.49) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751622 0.88 F2 (0.45) F2PRSS1PRSS2PRSS3TPSAB1

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 F2 3416/4885PRSS1 1659/4885PRSS2 1369/4885
US-20140011255-A1 Biotin Derivatives BTD, HLCS, BRI3BP F2 3416/4885PRSS1 1659/4885PRSS2 1369/4885
US-20190322681-A1 Biotin Derivatives BTD, HLCS, BRI3BP F2 3416/4885PRSS1 1659/4885PRSS2 1369/4885
US-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP F2 3416/4885PRSS1 1659/4885PRSS2 1369/4885

“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.