SCHEMBL4623732

SCHEMBL4623732

CCCCCCCCC(C)[N+](C)(C)O.CS(=O)(=O)[O-]

nearest known ligand 0.43

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
TP53 P04637 1/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
PSMD14 O00487 2/20 0.37
PLA2G1B P04054 2/20 0.37
MMP2 P08253 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RAD52 P43351 1/20 0.37
NR1I2 O75469 1/20 0.36
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
SPHK1 Q9NYA1 1/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
MGAM O43451 1/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 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
SCHEMBL5439561 0.88 RECQL (0.40) TP53CA1CA2ACE2PSMD14
SCHEMBL239692 0.87 SPHK1 (0.45) TP53CA1ACE2PSMD14PLA2G1B
SCHEMBL239716 0.87 SPHK1 (0.45) TP53CA1ACE2PSMD14PLA2G1B
SCHEMBL238534 0.87 SPHK1 (0.45) TP53CA1ACE2PSMD14PLA2G1B
SCHEMBL1838532 0.87 SPHK1 (0.45) TP53CA1ACE2PSMD14PLA2G1B
SCHEMBL15646327 0.87 SPHK1 (0.45) TP53CA1ACE2PSMD14PLA2G1B
Phosphoric Acid SCHEMBL8589341 0.85 FDPS (0.47) CA1FDPSLMNA
Hydrochloric Acid SCHEMBL5448552 0.85 SPHK1 (0.43) TP53CA1ACE2PSMD14PLA2G1B
Hydrochloric Acid SCHEMBL1831241 0.85 SPHK1 (0.43) TP53CA1ACE2PSMD14PLA2G1B
Water SCHEMBL16398739 0.85 SPHK1 (0.43) TP53CA1ACE2PSMD14PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242670-B1 WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2008-05-21 EP disclosed
US-7361706-B2 Water- and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-04-22 US disclosed
EP-1232206-B1 ANTISTATIC COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 EP disclosed
US-6784237-B2 Water-and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167265-A1 nonpolymeric ionic salt of monovalent metal cation, divalent metal cation, or organic onium cation (for example, a quaternary ammonium ion) and at least one weakly coordinating anion with fluorochemical repellent, and thermoplastic resin 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-6706920-B2 IONIC SALT CONSISTING OF NONPOLYMERIC NITROGEN ONIUM CATION AND WEAKLY COORDINATING FLUOROORGANIC ANION, CONJUGATE ACID OF ANION BEING A SUPERACID AND THERMOPLASTIC POLYMER; EXHIBITS GOOD ANTISTATIC PERFORMANCE OVER WIDE RANGE OF HUMIDITY LEVELS 3M INNOVATIVE PROPERTIES COMPANY 2004-03-16 US disclosed
US-20030211320-A1 Water-and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
US-6592988-B1 Water-and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY 2003-07-15 US disclosed
US-20020137825-A1 Ionic salt consisting of nonpolymeric nitrogen onium cation and weakly coordinating fluoroorganic anion, conjugate acid of anion being a superacid and thermoplastic polymer; exhibits good antistatic performance over wide range of humidity levels 3M INNOVATIVE PROPERTIES COMPANY 2002-09-26 US disclosed
EP-1242670-A1 WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION 3M Innovative Properties Company (US) 2002-09-25 EP disclosed
EP-1232206-A1 ANTISTATIC COMPOSITION 3M Innovative Properties Company (US) 2002-08-21 EP disclosed
US-6372829-B1 MELT BLENDING SALT, CONJUGATE ACID AND ANION WITH THERMOPLASTIC POLYMER 3M INNOVATIVE PROPERTIES COMPANY 2002-04-16 US disclosed
WO-2001049925-A1 WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-07-12 WO disclosed
WO-2001025326-A1 ANTISTATIC COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-04-12 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 (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-20020137825-A1 Ionic salt consisting of nonpolymeric nitrogen onium cation and weakly coordinating fluoroorganic anion, conjugate acid of anion being a superacid and thermoplastic polymer; exhibits good antistatic performance over wide range of humidity levels NCL, SLC43A1, SLC7A5 TP53 1847/4885CA1 8/4885CA2 9/4885

“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.