SCHEMBL1858895

SCHEMBL1858895

CN(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CBr)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
STAT5B P51692 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
AKT1 P31749 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL1858049 0.84 ALDH1A1 (0.39) HSD11B1MAOAMAOBMMP13MMP1
SCHEMBL1864283 0.82 ALDH1A1 (0.51) ALDH1A1STAT5BCA12CA9
SCHEMBL22517147 0.81 CA12 (0.40) HSD11B1ALDH1A1CA1CA2CA12
SCHEMBL9986889 0.81 KMT2A (0.46) HSD11B1MMP13MMP1MMP2MMP9
SCHEMBL28034923 0.80 HSD11B1 (0.56) HSD11B1MMP13ALDH1A1
SCHEMBL1859461 0.80 PTPN11 (0.37) HSD11B1MAOAMAOBMMP13MMP1
SCHEMBL24723850 0.79 CA12 (0.42) HSD11B1ALDH1A1NPSR1CA1CA2
SCHEMBL31036586 0.79 MMP13 (0.35) HSD11B1MAOAMAOBMMP13MMP2
SCHEMBL3080579 0.79 HSD11B1 (0.49) HSD11B1ALDH1A1TAS2R14
SCHEMBL24723852 0.77 NR1I2 (0.40) HSD11B1MAOAMAOBMMP13ALDH1A1

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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 US disclosed
CN-119654323-A External nucleotide pyrophosphatase-phosphodiesterase-1 inhibitor and pharmaceutical composition containing the same 瑞嘉化学生物科学股份有限公司 2025-03-18 CN disclosed
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 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 (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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 HSD11B1 996/4885MAOA 724/4885MAOB 828/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS HSD11B1 826/4885MAOA 1663/4885MAOB 976/4885

“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.