SCHEMBL19851073

SCHEMBL19851073

O=C(O)CCCSc1nc2cccnc2n1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39

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
SCHEMBL19851103 0.87 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851102 0.86 TSHR (0.52) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851017 0.86 SLC22A12 (0.53) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL21093540 0.85 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL21093621 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL21189138 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL23954453 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851100 0.78 TSHR (0.66) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851011 0.77 MAPT (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL19851098 0.77 SLC22A12 (0.54) ALDH1A1MAPK1HPGDCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495362-B1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV SHANDONG (CN) 2021-10-27 EP disclosed
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SHANDONG UNIVERSITY (CN) 2019-09-03 US disclosed
US-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SHANDONG UNIVERSITY (CN) 2019-07-25 US disclosed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 EP disclosed
WO-2018023851-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2018-02-08 WO 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-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SLC29A1, SLC28A1, SLC5A1 ALDH1A1 446/4885MAPK1 550/4885HPGD 1753/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 ALDH1A1 473/4885MAPK1 605/4885HPGD 1343/4885

“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.