SCHEMBL3299105

SCHEMBL3299105

COc1c(Br)cc(C)c(C(=O)O)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
TPMT P51580 1/20 0.46
TSHR P16473 2/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
CYP3A4 P08684 2/20 0.40
GFER P55789 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL22060757 0.87 TSHR (0.49) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL18786818 0.84 TPMT (0.54) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL22061113 0.82 ALDH1A1 (0.49) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL3300050 0.80 KMT2A (0.40) HSD17B10TSHRHTTHPGDALDH1A1
SCHEMBL30805783 0.79 HSD17B10 (0.50) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL26087761 0.79 HSD17B10 (0.50) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL18786723 0.78 HSD17B10 (0.45) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL9334983 0.76 HSD17B10 (0.58) HSD17B10TPMTTSHRAPOBEC3AHTT
SCHEMBL30699757 0.76 CYP3A4 (0.39) HSD17B10HTTHPGDALDH1A1KMT2A
SCHEMBL27804437 0.74 TSHR (0.40) HSD17B10TPMTTSHRAPOBEC3AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253397-B MNK inhibitors 上海迪诺医药科技有限公司 2023-11-14 CN disclosed
CN-111253397-A MNK inhibitors 上海迪诺医药科技有限公司 2020-06-09 CN disclosed
WO-2020108619-A1 MNK INHIBITOR 上海迪诺医药科技有限公司 2020-06-04 WO disclosed
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP 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 (1 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS HSD17B10 2720/4885TPMT 67/4885TSHR 3879/4885

“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.