SCHEMBL18342256

SCHEMBL18342256

CC1(C)OB(c2cccc(Br)n2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.39
LIPG Q9Y5X9 10/20 0.39
P2RX7 Q99572 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR7 P34969 2/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL31631018 1.00 LPL (0.39) LPLLIPGP2RX7IRAK4MAPK1
SCHEMBL4211647 0.81 LPL (0.40) LPLLIPGP2RX7IRAK4
SCHEMBL17268323 0.79 CCR1 (0.45) LPLLIPGP2RX7IRAK4
SCHEMBL29699639 0.79 LPL (0.36) LPLLIPGIRAK4
SCHEMBL426945 0.79 LPL (0.36) LPLLIPGIRAK4
SCHEMBL710355 0.78 LPL (0.42) LPLLIPGP2RX7IRAK4
SCHEMBL29562655 0.78 LIPG (0.38) LPLLIPGP2RX7IRAK4
SCHEMBL13576201 0.78 LIPG (0.38) LPLLIPGP2RX7IRAK4
SCHEMBL30086173 0.78 CYP3A4 (0.38) LPLLIPGP2RX7IRAK4
SCHEMBL30286474 0.78 LPL (0.41) LPLLIPGP2RX7IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176195-A Pyrazolo [3,4-d ] pyrimidine-3-ketone compound and medical application thereof 正大天晴药业集团股份有限公司 2024-06-11 CN disclosed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
CN-117069724-A Fused ring compounds, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-17 CN disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-20210277221-A1 RESIN COMPOSITION, LAMINATE, SEMICONDUCTOR WAFER WITH RESIN COMPOSITION LAYER, SUBSTRATE FOR MOUNTING SEMICONDUCTOR WITH RESIN COMPOSITION LAYER AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-09 US disclosed
CN-107922394-B 3-tetrazolyl-benzene-1, 2-disulfonamide derivatives as metallo-beta-lactamase inhibitors 默沙东公司 2021-07-13 CN disclosed
EP-3786200-A1 RESIN COMPOSITION, LAMINATE, RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR WAFER, SUBSTRATE FOR MOUNTING RESIN COMPOSITION LAYER-ATTACHED SEMICONDUCTOR, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-03 EP disclosed
EP-3313832-B1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-24 EP disclosed
US-10544130-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-01-28 US disclosed
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-05-16 US disclosed
US-10221163-B2 Metallo-beta-lactamase inhibitors MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
EP-3313832-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-05-02 EP disclosed
WO-2016210215-A1 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-29 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 (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-10544130-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 LPL 149/4885LIPG 1130/4885P2RX7 1941/4885
US-10221163-B2 Metallo-beta-lactamase inhibitors MLX, ZFX, MMP12 LPL 152/4885LIPG 1156/4885P2RX7 2025/4885
US-20190144432-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 LPL 149/4885LIPG 1130/4885P2RX7 1941/4885
US-20180244656-A1 METALLO-BETA-LACTAMASE INHIBITORS MLX, ZFX, MMP12 LPL 152/4885LIPG 1156/4885P2RX7 2025/4885

“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.