SCHEMBL507714

SCHEMBL507714

CS(=O)(=O)c1ccccc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.41
CTSB P07858 1/20 0.38
PLCG1 P19174 1/20 0.38
BCAT2 O15382 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 3/20 0.36
MPO P05164 1/20 0.36
NR3C1 P04150 1/20 0.36
CNR2 P34972 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL31532437 1.00 LOX (0.41) LOXMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL27961328 0.83 ADRA1D (0.39) LOXMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1148229 0.82 GAA (0.44) LOXMEN1CYP2D6KMT2ACTSB
SCHEMBL2024322 0.82 CTSB (0.53) LOXMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16978339 0.82 GABRA1 (0.34) LOXMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL585792 0.80 P2RX7 (0.38) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL27256744 0.80 PLCG1 (0.39) LOXCTSBPLCG1CA1CA2
SCHEMBL2043251 0.80 MEN1 (0.42) LOXMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10180071 0.79 SLC6A2 (0.49) LOXMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2376290 0.78 MEN1 (0.41) LOXMEN1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3943497-A1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2022-01-26 EP disclosed
EP-3483163-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS CB2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2021-06-23 EP disclosed
CN-108440500-B Quinazoline HIV-1 inhibitor and preparation method and application thereof 山东大学 2021-03-16 CN disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
CN-108218890-B Five-membered non-aromatic ring pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2020-03-27 CN disclosed
CN-108218896-B Thiazolopyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof 山东大学 2020-03-27 CN disclosed
CN-107074864-B Triazolo [4, 5-d ] pyrimidines as agonists of cannabinoid receptor 2 豪夫迈·罗氏有限公司 2019-12-27 CN disclosed
EP-3558981-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS Orion Corporation (FI) 2019-10-30 EP disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
WO-2005054232-A1 1-ACETIC ACID-INDOLE, -INDAZOLE AND-BENZIMIDAZOLE DERIVATIVES USFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS ASTRAZENECA AB (SE) 2005-06-16 WO disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5750549-A ANTIINFLAMMATORY AGENTS OR ANALGESICS MERCK & CO., INC. (US) 1998-05-12 US disclosed
WO-1997014671-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
EP-0051466-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-09 EP disclosed
US-4454334-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-06-12 US disclosed
US-4420325-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS & COMPANY (US) 1983-12-13 US disclosed
EP-0051466-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-05-12 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 (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-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 LOX 1000/4885MEN1 1017/4885CYP1A2 17/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 LOX 1000/4885MEN1 1017/4885CYP1A2 17/4885

“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.