SCHEMBL22863319

SCHEMBL22863319

O=C(O)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.63
FTO Q9C0B1 8/20 0.62
TTR P02766 1/20 0.56
JAK2 O60674 1/20 0.56
NQO1 P15559 1/20 0.55
KEAP1 Q14145 1/20 0.55
NR1H2 P55055 1/20 0.53
MIF P14174 1/20 0.50
DRD1 P21728 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
SMAD3 P84022 1/20 0.49
KMT2A Q03164 1/20 0.49
PRMT1 Q99873 1/20 0.49
ACE2 Q9BYF1 1/20 0.49

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
SCHEMBL8893358 0.99 NAALAD2 (0.62) NAALAD2FTOTTRJAK2NQO1
SCHEMBL12754623 0.94 FTO (0.65) NAALAD2FTOTTRJAK2NQO1
SCHEMBL15045059 0.92 FTO (0.61) NAALAD2FTOTTRJAK2NQO1
SCHEMBL18872864 0.91 FTO (0.65) NAALAD2FTOTTRJAK2NQO1
SCHEMBL15744221 0.89 FTO (0.64) NAALAD2FTOTTRJAK2NQO1
SCHEMBL20729848 0.89 FTO (0.66) NAALAD2FTOTTRJAK2NQO1
SCHEMBL991216 0.88 FTO (0.63) NAALAD2FTOTTRJAK2NQO1
SCHEMBL29353892 0.88 FTO (0.63) NAALAD2FTOTTRJAK2NQO1
SCHEMBL20809317 0.87 FTO (0.70) NAALAD2FTOTTRJAK2NQO1
SCHEMBL17956697 0.87 FTO (0.69) NAALAD2FTOTTRJAK2NQO1

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-20220218664-A1 DRUG AND METHOD FOR TREATING OR PREVENTING COMPLICATIONS FROM DIABETES, USING SAID DRUG SHOWA UNIVERSITY (JP) 2022-07-14 US disclosed
US-20210322381-A1 DRUG FOR TREATMENT OR PREVENTION OF BLOOD CEREBRAL HEMORRHAGE, AND METHOD FOR TREATING OR PREVENTING CEREBRAL HEMORRHAGE USING THE DRUG CORXEL PHARMACEUTICALS HONG KONG LIMITED (CN) 2021-10-21 US disclosed
US-20210000794-A1 Drug and Method of Treating or Preventing Renal Disease Using Drug SHOWA UNIVERSITY (JP) 2021-01-07 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-20210322381-A1 DRUG FOR TREATMENT OR PREVENTION OF BLOOD CEREBRAL HEMORRHAGE, AND METHOD FOR TREATING OR PREVENTING CEREBRAL HEMORRHAGE USING THE DRUG PROC, FABP7, TIMP3 NAALAD2 453/4885FTO 4532/4885TTR 201/4885
US-20220218664-A1 DRUG AND METHOD FOR TREATING OR PREVENTING COMPLICATIONS FROM DIABETES, USING SAID DRUG SLC5A2, SLC5A1, IAPP NAALAD2 786/4885FTO 1128/4885TTR 185/4885
US-20210000794-A1 Drug and Method of Treating or Preventing Renal Disease Using Drug REN, ATP6V1B1, SLC10A1 NAALAD2 378/4885FTO 2997/4885TTR 195/4885

“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.