SCHEMBL2900952

SCHEMBL2900952

Cc1ccc(S(=O)(=O)[O-])cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
KCNH2 Q12809 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TLR9 Q9NR96 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41

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
Toliodium SCHEMBL2895871 0.91 GAA (0.50) ACHELMNACYP2D6CYP2C9CYP2C19
SCHEMBL3753877 0.89 LMNA (0.43) BCHEACHELMNAHTTKCNH2
SCHEMBL3756890 0.86 BCHE (0.45) BCHEACHELMNAHTTKCNH2
SCHEMBL10492043 0.84 MMP2 (0.45) BCHEACHELMNAHTTCYP2D6
Toliodium SCHEMBL2895872 0.84 MMP2 (0.45) BCHEACHELMNAHTTCYP2D6
SCHEMBL2898541 0.84 ALDH1A1 (0.45) HTTKMT2AMAPTALDH1A1CYP3A4
SCHEMBL29364739 0.83 ACHE (0.48) BCHEACHELMNACNR2KDM4E
SCHEMBL10827641 0.82 CES2 (0.48) ACHELMNAKMT2AMEN1CES2
Toliodium SCHEMBL5400817 0.82 ACHE (0.46) BCHEACHELMNATSHRTLR9
SCHEMBL5382700 0.82 ACHE (0.46) BCHEACHELMNATSHRTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771923-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2014-07-08 US disclosed
US-20130108962-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2013-05-02 US disclosed
US-8361691-B2 Radiation-sensitive composition and process for producing low-molecular compound for use therein JSR CORPORATION (JP) 2013-01-29 US disclosed
EP-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 EP disclosed
EP-1270553-B1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORP (JP) 2009-11-18 EP disclosed
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR CORPORATION (JP) 2009-11-12 US disclosed
EP-2060949-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN JSR Corporation (JP) 2009-05-20 EP disclosed
EP-1640804-B1 Positive-tone radiation-sensitive resin composition JSR CORP (JP) 2008-11-19 EP disclosed
US-7335457-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2008-02-26 US disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP disclosed
EP-0730201-B1 Sensitized photopolymerizable compositions and use thereof in lithographic printing plates KODAK POLYCHROME GRAPHICS LLC (US) 2001-05-09 EP disclosed
US-5942372-A COMPRISED A SPECTRAL SENSITIZER THAT SENSITIZES IN THE ULTRAVIOLET OR VISIBLE REGIONS OF THE SPECTRUM AND AN N-ARYL POLYCARBOXYLIC ACID CO-INITIATOR; VERY HIGH PHOTOSPEED AND VERY GOOD SHELF-LIFE IN COMPUTER-TO-PLATE SYSTEMS KODAK POLYCHROME GRAPHICS, LLC (US) 1999-08-24 US disclosed
US-5914215-A ELEMENT COMPRISING SUPPORT HAVING PHOTOIMAGEABLE, RADIATION SENSITIVE LAYER COMPRISING UNSATURATED COMPOUND, PHOTOINITIATOR SYSTEM COMPRISING SENSITIZER SENSITIZING IN ULTRAVIOLET OR VISIBLE REGION OF SPECTRUM, CO-INITIATOR KODAK POLYCHROME GRAPHIC, LLC (US) 1999-06-22 US disclosed
US-5888700-A NONFOGGING, SHELF LIFE KODAK POLYCHROME GRPAHICS, LLC (US) 1999-03-30 US disclosed
US-5821030-A DIRECT DIGITAL EXPOSURE; HIGH WRITING SPEED; ADHESION; ANTIFOGGING AGENTS; SHELF LIFE; USING A POLYCARBOXYLIC ACID IN THE PHOTOPOLYMERIZATION INITIATOR SYSTEM AND A BASIC COMPOUND IN THE OXYGEN BARRIER LAYER KODAK POLYCHROME GRAPHICS (US) 1998-10-13 US disclosed
US-5776655-A CONTAINING PHOTOPOLYMER EASTMAN KODAK COMPANY (US) 1998-07-07 US disclosed
EP-0795790-A2 Peel-developable lithographic printing plate EASTMAN KODAK COMPANY (US) 1997-09-17 EP disclosed
EP-0730201-A1 Sensitized photopolymerizable compositions and use thereof in lithographic printing plates EASTMAN KODAK COMPANY (US) 1996-09-04 EP 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-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN ACP1, PLG, ALG1 BCHE 3581/4885ACHE 2970/4885LMNA 1015/4885

“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.