SCHEMBL3000997

SCHEMBL3000997

CCCCn1cc[n+](C)c1C.CS(=O)(=O)[O-]

nearest known ligand 0.40

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
EGFR known ✓ P00533 1/20 0.40
KMT2A Q03164 3/20 0.40
EEF2K O00418 2/20 0.40
EEF2 P13639 2/20 0.40
MEN1 O00255 2/20 0.40
PLK4 O00444 1/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
FLT3 P36888 1/20 0.40
BLM P54132 1/20 0.40
ITK Q08881 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 2/20 0.36
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
APAF1 O14727 1/20 0.32

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 SCHEMBL3006216 0.95 KMT2A (0.40) KMT2AEEF2KEEF2MEN1PLK4
Sulfuric Acid SCHEMBL4247480 0.92 CA1 (0.41) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL2837397 0.90 CA1 (0.38) KMT2AEEF2KEEF2MEN1PLK4
Sulfuric Acid SCHEMBL28897861 0.89 CA1 (0.43) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL294425 0.88 KMT2A (0.46) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL28385710 0.88 KMT2A (0.46) KMT2AEEF2KEEF2MEN1PLK4
Trifluoromethanesulfonic Acid SCHEMBL707414 0.88 KCNH2 (0.43) KMT2AEEF2KEEF2MEN1PLK4
SCHEMBL2990537 0.87 EEF2K (0.36) KMT2AEEF2KEEF2MEN1PLK4
Bromide SCHEMBL711969 0.87 CA1 (0.49) KMT2AEEF2KEEF2MEN1PLK4
Hydrochloric Acid SCHEMBL295048 0.87 KMT2A (0.47) KMT2AEEF2KEEF2MEN1PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226339-B1 IONIC LIQUID GEL FOR ELECTROLYTE, METHOD OF AND INK FOR MAKING THE SAME, AND PRINTED BATTERIES INCLUDING SUCH IONIC LIQUID GELS AND/OR ELECTROLYTES IMPRINT ENERGY INC (US) 2021-07-14 EP 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
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
US-12463203-B2 Solvent-free electrochemical cells with conductive pressure sensitive adhesives attaching current collectors CCL LABEL, INC. (US) 2025-11-04 US disclosed
US-11961972-B1 Flexible multi-battery assemblies, flexible electrochemical cells forming such assemblies, and methods of fabricating thereof CCL LABEL, INC. (US) 2024-04-16 US disclosed
US-11881602-B1 Electrochemical cells comprising water-retaining components and methods of fabricating CCL LABEL, INC. (US) 2024-01-23 US 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
EP-3512905-B1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2022-08-24 EP disclosed
US-11417913-B2 Ionic liquid gel for electrolyte, method of and ink for making the same, and printed batteries including such ionic liquid gels and/or electrolytes IMPRINT ENERGY, INC. (US) 2022-08-16 US disclosed
CN-109790292-B Process for preparing polybenzazole polymer (P) 巴斯夫欧洲公司 2022-05-31 CN disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed
US-7897806-B2 Reacting primary amines with phosgene in ionic liquid as solvent BASF AKTIENGESELLSCHAFT (DE) 2011-03-01 US disclosed
US-20100191010-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2010-07-29 US disclosed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US disclosed
EP-2011782-A1 Process for the synthesis of carbamates using co2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-07 EP 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

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 EGFR 2072/4885KMT2A 1556/4885EEF2K 3495/4885
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 EGFR 508/4885KMT2A 4633/4885EEF2K 1111/4885

“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.