SCHEMBL30249804

SCHEMBL30249804

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCO[C@H]2COC1=NS(=O)(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 1.00
PTPN2 P17706 10/20 1.00
PTPRB P23467 3/20 1.00
RAB9A P51151 2/20 0.39
PTPRC P08575 2/20 0.37
PTPRE P23469 2/20 0.37
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.34
PTPRA P18433 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34
PTPN6 P29350 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
SCHEMBL4321201 1.00 PTPN1 (1.00) PTPN1PTPN2PTPRBRAB9APTPRC
SCHEMBL5838855 0.81 PTPN1 (0.69) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838028 0.78 PTPN1 (0.63) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838480 0.77 PTPN1 (0.62) PTPN1PTPN2PTPRBRAB9APTPRC
SCHEMBL6208795 0.75 PTPN1 (0.59) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838411 0.73 PTPN1 (0.57) PTPN1PTPN2PTPRBRAB9APTPRC
SCHEMBL5837036 0.73 PTPN1 (0.55) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5843149 0.71 PTPN1 (0.55) PTPN1PTPN2PTPRBPTPRCPTPRE
SCHEMBL5838458 0.71 PTPN1 (0.55) PTPN1PTPN2PTPRBRAB9APTPRC
SCHEMBL6228754 0.70 PTPN1 (0.54) PTPN1PTPN2PTPRBRAB9ANPC1

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-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed