SCHEMBL4200394

SCHEMBL4200394

Cc1ccc(S(=O)(=O)O)cc1.O=C(O)CNCc1ccccc1

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
ATM Q13315 1/20 0.54
CA9 Q16790 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL13731468 0.89 MAPT (0.52) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL28958210 0.88 KMT2A (0.50) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL29803178 0.87 CA12 (0.58) CA12CYP1A2CYP3A4ATMCA9
Sulfuric Acid SCHEMBL20299328 0.83 CA2 (0.49) CA12KMT2ACA1CA2ALDH1A1
N-Benzylmethylamine SCHEMBL20239926 0.82 CYP3A4 (0.59) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL5939339 0.81 FFAR1 (0.56) ATMKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL28338890 0.81 L3MBTL1 (0.58) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL10706446 0.80 MAOA (0.53) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL10806824 0.80 MAOA (0.53) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL4455333 0.79 CA12 (0.49) CA12CYP1A2CYP3A4CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119368011-A Polyamide composite film 万华化学集团股份有限公司 2025-01-28 CN disclosed
CN-222263523-U Perovskite solar cell 旗滨新能源发展(深圳)有限责任公司 2024-12-27 CN disclosed
CN-113825530-A Dual mode18F-labelled thermal compounds and use thereof 省卫生服务机构 2021-12-21 CN disclosed
WO-2021027306-A1 DIHYDROARTEMISININ-STEROID CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF 云白药征武科技(上海)有限公司 2021-02-18 WO disclosed
CN-110678174-A Prodrugs of treprostinil 联合治疗学有限公司 2020-01-10 CN disclosed
US-7473669-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC (US) 2009-01-06 US disclosed
EP-1881966-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES Dow AgroSciences LLC (US) 2008-01-30 EP disclosed
WO-2006119400-A2 SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2006-11-09 WO disclosed
US-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DOW AGROSCIENCES LLC 2006-11-09 US disclosed
CN-1213144-C Recombination nucleic acid molecule and application thereof REGENT OF UNIV OF CALIFORNIA (US) 2005-08-03 CN disclosed
CN-1066731-C Substrates for beta-lactamases and uses thereof UNIV CALIFORNIA (US) 2001-06-06 CN disclosed
CN-1296078-A Recombination nucleic acid molecule and application thereof REGENT OF UNIV OF CALIFORNIA (US) 2001-05-23 CN disclosed
CN-1184479-A Substrates for beta-lactamases and uses thereof UNIV CALIFORNIA (US) 1998-06-10 CN 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-20060252755-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones, and their use as fungicides DDT, CYP4B1, CYP4X1 CA12 3570/4885CYP1A2 9/4885CYP3A4 5/4885

“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.