SCHEMBL18845247

SCHEMBL18845247

O=c1c2ccccc2sn1-c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 7/20 0.66
MPI P34949 9/20 0.59
PMM2 O15305 8/20 0.59
PHOSPHO1 Q8TCT1 8/20 0.59
APOBEC3G Q9HC16 4/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
PKM P14618 2/20 0.59
HPGD P15428 2/20 0.59
ALOX12 P18054 2/20 0.59
CASP3 P42574 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
HSP90AA1 P07900 1/20 0.59
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM5B Q9UGL1 1/20 0.53

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
SCHEMBL8624454 0.79 G6PD (0.66) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL8372604 0.79 MPI (0.72) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL8373005 0.79 G6PD (1.00) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL8373401 0.79 G6PD (0.72) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL18913005 0.79 G6PD (0.60) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL8371733 0.78 G6PD (0.64) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL18845170 0.76 MPI (0.54) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL1900552 0.76 MPI (0.74) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL24327539 0.76 G6PD (0.60) G6PDMPIPMM2PHOSPHO1APOBEC3G
SCHEMBL8369510 0.76 G6PD (0.60) G6PDMPIPMM2PHOSPHO1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142801-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2019-05-16 US disclosed
US-10172829-B2 Use of small molecules for the treatment of clostridium difficile toxicity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-01-08 US disclosed
US-20170128420-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2017-05-11 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 (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-10172829-B2 Use of small molecules for the treatment of clostridium difficile toxicity SLC10A2, TCERG1, SBDS G6PD 4253/4885MPI 4658/4885PMM2 4801/4885
US-20190142801-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY SLC10A2, TCERG1, SBDS G6PD 4253/4885MPI 4658/4885PMM2 4801/4885
US-20170128420-A1 USE OF SMALL MOLECULES FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE TOXICITY SLC10A2, TCERG1, SBDS G6PD 4253/4885MPI 4658/4885PMM2 4801/4885

“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.