SCHEMBL648702

SCHEMBL648702

CS(=O)(=O)c1ccccc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
ADRA1A P35348 3/20 0.38
LOX P28300 1/20 0.37
DRD2 P14416 1/20 0.36
HSD11B1 P28845 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
GAA P10253 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
HTR6 P50406 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA12 O43570 1/20 0.34
CYP2C9 P11712 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
SCHEMBL9640746 0.82 PTGS2 (0.36) BCAT2ADRA1ADRD2HSD11B1ADRA2A
SCHEMBL8106699 0.81 LOX (0.47) BCAT2ADRA1ALOXDRD2HSD11B1
Barbituric Acid SCHEMBL9641626 0.80 TDP2 (0.38) BCAT2ADRA1ADRD2ADRA2AADRA2C
SCHEMBL745249 0.80 ALDH1A1 (0.44) GAAHTR6CA1CA2CA4
SCHEMBL29515914 0.80 ALDH1A1 (0.44) GAAHTR6CA1CA2CA4
SCHEMBL1682100 0.79 GAA (0.50) GAAHTR6CA1CA2CA4
SCHEMBL9641951 0.79 ALDH1A1 (0.35) ADRA1AGAAADRA2AADRA2CADRA1D
SCHEMBL9641657 0.78 ADRA1A (0.32) ADRA1ALOXADRA2AADRA2CADRA1D
SCHEMBL15461559 0.78 CYP1A2 (0.45) CA1CA2CA9L3MBTL1
SCHEMBL23874979 0.77 TAAR1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225478-B1 IODONIUM YLIDE ANTIMICROBIAL COMPOUNDS THE DOW CHEMICAL COMPANY (US) 1990-05-16 EP claimed
WO-2025038395-A1 BENZOPYRIDINONES AND BENZOPYRIMIDINONES AS PI3K INHIBITORS ONKURE, INC. (US) 2025-02-20 WO disclosed
EP-4257587-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shenzhen Chipscreen Biosciences Co., Ltd. (CN) 2023-10-11 EP disclosed
WO-2022249006-A1 USE OF 1,2,4-OXADIAZOLE DERIVATIVES AS LIVER X RECEPTOR AGONISTS NOVARTIS AG (CH) 2022-12-01 WO disclosed
WO-2022135591-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-06-30 WO disclosed
WO-2021249563-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2021-12-16 WO disclosed
WO-2021143693-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 苏州泽璟生物制药股份有限公司 2021-07-22 WO disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
EP-3262057-B1 SUBSTITUTED NUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2020-04-15 EP disclosed
US-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents PFIZER INC. (US) 2019-10-01 US disclosed
WO-2006021805-A1 DIARYLSULFONES AS 5-HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-03-02 WO disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
US-5403859-A PHENYLENE-CYCLIC ETHER COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
EP-0375404-B1 Heterocyclic derivatives ICI PLC (GB) 1994-02-09 EP disclosed
US-5234950-A Antiallergens, antiinflammatory agents; cardiovascular disorders, antiarthritic IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-10 US disclosed
US-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 US disclosed
US-5098930-A Inhibitors of lipoxygenase for treatment of diseases mediated with leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-24 US disclosed
EP-0375404-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-27 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-10428104-B2 Substituted nucleoside derivatives useful as anticancer agents TYMP, NME1, DPYD BCAT2 2245/4885ADRA1A 4196/4885LOX 2269/4885
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 BCAT2 297/4885ADRA1A 2765/4885LOX 1083/4885

“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.