SCHEMBL4609033

SCHEMBL4609033

CS(=O)(=O)Oc1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.61
CA9 Q16790 5/20 0.61
CA1 P00915 4/20 0.61
CA12 O43570 3/20 0.44
MMP2 P08253 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP14 P50281 2/20 0.43
MMP1 P03956 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL17287795 0.94 CA2 (0.55) CA2CA9CA1CA12MMP2
SCHEMBL575589 0.87 CA2 (0.52) CA2CA9CA1CA12MMP2
SCHEMBL11572629 0.87 LMNA (0.62) CA2CA9CA1CA12MEN1
SCHEMBL6824930 0.81 NCEH1 (0.49) CA2CA9CA1CA12ALDH1A1
SCHEMBL27746568 0.80 CA2 (0.67) CA2CA9CA1CA12MMP2
SCHEMBL3838977 0.80 CA2 (0.58) CA2CA9CA1CA12MMP2
SCHEMBL6941035 0.78 CA1 (0.64) CA2CA9CA1CA12MMP2
SCHEMBL168170 0.78 CA2 (0.64) CA2CA9CA1CA12MMP2
SCHEMBL27593450 0.77 CA2 (0.57) CA2CA9CA1CA12MMP2
SCHEMBL6037 0.76 CA2 (0.48) CA2CA9CA1CA12MMP2

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108699072-B Process for the preparation of 7H-pyrrolo [2,3-D ] pyrimidine compounds 硕腾服务有限责任公司 2021-02-26 CN claimed
CN-108699072-B Process for the preparation of 7H-pyrrolo [2,3-D ] pyrimidine compounds 硕腾服务有限责任公司 2021-02-26 CN disclosed
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
CN-101835728-B Compounds for imaging, diagnosing and/or treating central nervous system diseases or tumors BAYER SCHERING PHARMA AG (DE) 2016-03-09 CN disclosed
CN-105175293-A Compounds for imaging, diagnosing and/or treating central nervous system diseases or tumors BAYER SCHERING PHARMA AG 2015-12-23 CN disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed
CN-1854133-B Heterocycle-bearing onium salts WAKO PURE CHEM IND LTD 2010-11-10 CN disclosed
US-5856339-A POST-MENOPAUSAL SYNDROME, AND UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION. ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
US-5856340-A 2-PHENYL-3-/ALKOXYPHENOXY OR PHENYLTHIO/BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-01-05 US disclosed
WO-1998045287-A1 TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
WO-1998045286-A1 PREVENTION OF BREAST CANCER WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
WO-1998045288-A1 TREATMENT OR PROPHYLAXIS OF PROSTATIC CANCER AND BENIGN PROSTATIC HYPERPLASIA WITH SELECTIVE ESTROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1998-10-15 WO disclosed
US-5723474-A TREATING POST-MENOPAUSAL SYNDROME, UTERINE FIBROID DISEASE, ENDOMETRIOSIS, AND AORTAL SMOOTH MUSCLE CELL PROLIFERATION; ANTIESTROGENS ELI LILLY AND COMPANY (US) 1998-03-03 US disclosed
CN-1159448-A Benzothiophene compounds, intermediates, compositions, and methods LILLY CO ELI (US) 1997-09-17 CN disclosed
EP-0729956-A1 Benzothiophene compounds, intermediates, compositions, and methods ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
EP-0001495-A1 Peroxygen bleaching and compositions therefor FMC Corporation (US) 1979-04-18 EP disclosed
US-4128490-A BLEACHES FMC CORPORATION (US) 1978-12-05 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 (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-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 CA2 163/4885CA9 411/4885CA1 952/4885

“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.