SCHEMBL4623738

SCHEMBL4623738

CCCCCCCCC(C)C(C)(N)O.CS(=O)(=O)O

nearest known ligand 0.50

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 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
FDPS P14324 5/20 0.42
LAP3 P28838 2/20 0.41
SPHK1 Q9NYA1 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
SMPD1 P17405 2/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37

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
SCHEMBL238536 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL10944412 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL239718 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL1838534 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL28359730 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL28188933 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL10944415 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL17201413 0.89 SPHK1 (0.47) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL11332013 0.89 TP53 (0.46) TP53FDPSLAP3SPHK1S1PR2
SCHEMBL28085531 0.89 TP53 (0.46) TP53FDPSLAP3SPHK1S1PR2

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 1847/4885FDPS 3902/4885LAP3 2892/4885

“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.