SCHEMBL3000417

SCHEMBL3000417

CS(=O)(=O)O.Cc1nccn1C

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LPO P22079 1/20 0.40
FDPS P14324 3/20 0.40
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2A6 P11509 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
Sulfuric Acid SCHEMBL2995711 0.94 LPO (0.41) CA12CA1CA2CA9LPO
Sulfuric Acid SCHEMBL4250215 0.94 LPO (0.41) CA12CA1CA2CA9LPO
SCHEMBL2993385 0.86 RECQL (0.37) CA12CA1CA2CA9LPO
SCHEMBL3104611 0.85 LPO (0.41) CA12CA1CA2CA9LPO
Trifluoromethanesulfonic Acid SCHEMBL1682013 0.85 ALDH1A1 (0.37) CA12CA1CA2CA9LPO
Methyl Alcohol SCHEMBL28649922 0.84
SCHEMBL16694847 0.84
Eprodisate SCHEMBL6115427 0.83 CA12 (0.41) CA12CA1CA2CA9LPO
Sulfuric Acid SCHEMBL27982925 0.83 LPO (0.40) CA12CA1CA2CA9LPO
Bicarbonate SCHEMBL28481522 0.83 LPO (0.43) LPOFDPSBRD4ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9136526-B2 Method of manufacturing anode active material, and anode and lithium battery using the anode active material KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-09-15 US claimed
US-20130280603-A1 METHOD OF MANUFACTURING ANODE ACTIVE MATERIAL, AND ANODE AND LITHIUM BATTERY USING THE ANODE ACTIVE MATERIAL KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2013-10-24 US claimed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
WO-2026100892-A1 POLYMER ELECTROLYTE, LITHIUM METAL BATTERY COMPRISING SAME, AND METHOD FOR MANUFACTURING SAME 삼성에스디아이 주식회사 2026-05-15 WO disclosed
CN-111836849-B Process for producing fibers, films and moldings of polybenzazole polymer (P) 巴斯夫欧洲公司 2023-04-07 CN disclosed
CN-109790292-B Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2022-05-31 CN disclosed
CN-107497253-B Method for dehumidifying a humid gas mixture 赢创运营有限公司 2021-08-03 CN disclosed
WO-2019078514-A1 METHOD FOR PRODUCING GRAFT COPOLYMER COMPOSITE, GRAFT COPOLYMER COMPOSITE, AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME 주식회사 엘지화학 2019-04-25 WO disclosed
US-9136526-B2 Method of manufacturing anode active material, and anode and lithium battery using the anode active material KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2015-09-15 US disclosed
US-20130280603-A1 METHOD OF MANUFACTURING ANODE ACTIVE MATERIAL, AND ANODE AND LITHIUM BATTERY USING THE ANODE ACTIVE MATERIAL KOREA INSTITUTE OF ENERGY RESEARCH (KR) 2013-10-24 US disclosed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP disclosed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US disclosed
WO-2009013062-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-29 WO disclosed
EP-2011782-A1 Process for the synthesis of carbamates using co2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-07 EP disclosed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US disclosed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP disclosed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO disclosed
EP-1442001-A2 METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS AND HYDROCARBON MIXTURES Solvent Innovation GmbH (DE) 2004-08-04 EP disclosed
WO-2003037835-A2 METHOD FOR ELIMINATING POLARIZABLE IMPURITIES FROM HYDROCARBONS WITH IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2003-05-08 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 (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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT CA12 760/4885CA1 2478/4885CA2 2076/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 CA12 204/4885CA1 527/4885CA2 249/4885

“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.