SCHEMBL19851096

SCHEMBL19851096

CCOC(=O)C(C)Sc1nc2cccnc2n1-c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 8/20 0.48
MAPK1 P28482 3/20 0.48
PLA2G1B P04054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PRNP P04156 1/20 0.45
POLB P06746 2/20 0.44
HPGD P15428 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL23954456 0.89 ALDH1A1 (0.47) TSHRATMALDH1A1MAPK1PLA2G1B
SCHEMBL19851097 0.88 CYP2C9 (0.52) TSHRATMALDH1A1MAPK1NPSR1
SCHEMBL19851023 0.86 SLC22A12 (0.59) TSHRATMALDH1A1MAPK1PLA2G1B
SCHEMBL23954457 0.85 ALDH1A1 (0.49) TSHRATMALDH1A1MAPK1PLA2G1B
SCHEMBL19851100 0.84 TSHR (0.66) TSHRATMALDH1A1MAPK1NPSR1
SCHEMBL19851101 0.83 ALDH1A1 (0.48) TSHRATMALDH1A1MAPK1LMNA
SCHEMBL21094240 0.83 ALDH1A1 (0.43) TSHRALDH1A1MAPK1MAPTPOLB
SCHEMBL19851109 0.81 ALDH1A1 (0.40) TSHRALDH1A1MAPK1LMNAMAPT
SCHEMBL19851102 0.81 TSHR (0.52) TSHRATMALDH1A1MAPK1LMNA
SCHEMBL19851161 0.80 ALDH1A1 (0.39) TSHRALDH1A1MAPK1LMNAMAPT

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 TSHR 2731/4885ATM 4793/4885ALDH1A1 446/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 TSHR 2444/4885ATM 4747/4885ALDH1A1 473/4885

“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.