SCHEMBL17502097

SCHEMBL17502097

Cc1c(C(=O)O)cccc1-n1sc2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 4/20 0.54
MPI P34949 11/20 0.53
PHOSPHO1 Q8TCT1 11/20 0.53
PMM2 O15305 10/20 0.53
APOBEC3G Q9HC16 4/20 0.53
IDE P14735 2/20 0.53
PKM P14618 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
ALOX12 P18054 2/20 0.51
CASP3 P42574 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSP90AA1 P07900 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL18913005 0.87 G6PD (0.60) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL1895902 0.77 MPI (0.60) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL8372604 0.76 MPI (0.72) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL8624454 0.73 G6PD (0.66) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL18845247 0.73 G6PD (0.66) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL8371733 0.72 G6PD (0.64) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL8373401 0.70 G6PD (0.72) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL8370675 0.70 MPI (0.61) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL8373005 0.70 G6PD (1.00) G6PDMPIPHOSPHO1PMM2APOBEC3G
SCHEMBL24327539 0.70 G6PD (0.60) G6PDMPIPHOSPHO1PMM2APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY UNIV WASHINGTON (US) 2016-02-18 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 (2 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-20160046651-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 G6PD 13/4885MPI 10/4885PHOSPHO1 342/4885
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 G6PD 13/4885MPI 10/4885PHOSPHO1 342/4885

“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.