SCHEMBL5657466

SCHEMBL5657466

O=C(O)c1cccc(SSc2cccc(C(=O)ON3C(=O)CCC3=O)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 7/20 0.36
MEN1 O00255 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 4/20 0.35
PKM P14618 3/20 0.35
RAB9A P51151 1/20 0.34
HPD P32754 3/20 0.33
HTT P42858 1/20 0.33
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
DTYMK P23919 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL30534229 0.80 POLB (0.57) TSHRPOLBMAPTMEN1ALDH1A1
SCHEMBL4904 0.80 POLB (0.57) TSHRPOLBMAPTMEN1ALDH1A1
SCHEMBL1043222 0.80 POLB (0.57) TSHRPOLBMAPTMEN1ALDH1A1
SCHEMBL4449468 0.78 POLB (0.46) POLBMAPTALDH1A1KMT2AKDM4E
SCHEMBL5303474 0.74 ALDH1A1 (0.48) POLBALDH1A1KMT2AGAAKDM4E
SCHEMBL14067636 0.74 ALDH1A1 (0.40) POLBMAPTMEN1ALDH1A1KMT2A
SCHEMBL617411 0.74 KMT2A (0.48) MEN1ALDH1A1KMT2ARAB9A
SCHEMBL24371870 0.74 SMN1; SMN2 (0.48) TSHRPOLBMAPTMEN1ALDH1A1
SCHEMBL29599533 0.74 SMN1; SMN2 (0.48) TSHRPOLBMAPTMEN1ALDH1A1
SCHEMBL29599304 0.74 SMN1; SMN2 (0.48) TSHRPOLBMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060047105-A1 Polymer-supported reagent for the preparation of disulfide-bridged peptides PEPTIDES INTERNATIONAL, INC. 2006-03-02 US 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 (1 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-20060047105-A1 Polymer-supported reagent for the preparation of disulfide-bridged peptides GPX4, P4HB, GFER TSHR 1701/4885POLB 1748/4885MAPT 2397/4885

“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.