SCHEMBL19982128

SCHEMBL19982128

CC(C)(C)n1cc(C(=O)OCc2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP12 P39900 2/20 0.46
MMP1 P03956 1/20 0.46
TSHR P16473 3/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
CYP3A4 P08684 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
RAB9A P51151 4/20 0.41
POLB P06746 2/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 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
SCHEMBL19847432 0.84 ALDH1A1 (0.50) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL19500815 0.71 ALDH1A1 (0.55) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL9057293 0.71 ALDH1A1 (0.96) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL21440761 0.71 TDP1 (0.53) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL23289769 0.70 ALDH1A1 (0.49) ALDH1A1TDP1TSHRMAPK1L3MBTL1
SCHEMBL24449298 0.70 KMT2A (0.53) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL14002494 0.70 KMT2A (0.49) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL29388715 0.70 ALDH1A1 (0.89) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL50441 0.70 ALDH1A1 (0.89) ALDH1A1TDP1MMP2MMP9MMP12
SCHEMBL29171664 0.70 KMT2A (0.56) ALDH1A1TDP1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11266674-B2 Pharmaceutical composition for tumor treatment or prevention, method, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2022-03-08 US disclosed
US-10662214-B2 Compound of 4′-thionucleoside, as well as preparation method therefor, pharmaceutical composition thereof and application thereof Sichuan Keiun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-05-26 US disclosed
US-20200121707-A1 PHARMACEUTICAL COMPOSITION FOR TUMOR TREATMENT OR PREVENTION, METHOD, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-04-23 US disclosed
US-20180079770-A1 NOVEL COMPOUND OF 4'-THIONUCLEOSIDE, AS WELL AS PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-03-22 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 (4 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-10662214-B2 Compound of 4′-thionucleoside, as well as preparation method therefor, pharmaceutical composition thereof and application thereof TYMP, WEE1, NTPCR ALDH1A1 3651/4885TDP1 1606/4885MMP2 4674/4885
US-20180079770-A1 NOVEL COMPOUND OF 4'-THIONUCLEOSIDE, AS WELL AS PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF WEE1, WEE2, THEM6 ALDH1A1 3554/4885TDP1 1554/4885MMP2 4685/4885
US-20200121707-A1 PHARMACEUTICAL COMPOSITION FOR TUMOR TREATMENT OR PREVENTION, METHOD, AND USE THEREOF TP53, PHOSPHO1, TTR ALDH1A1 3316/4885TDP1 1082/4885MMP2 2094/4885
US-11266674-B2 Pharmaceutical composition for tumor treatment or prevention, method, and use thereof TP53, PHOSPHO1, TTR ALDH1A1 3316/4885TDP1 1082/4885MMP2 2094/4885

“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.