SCHEMBL2901040

SCHEMBL2901040

O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=[N+]([O-])c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.43
MMP1 P03956 4/20 0.43
MMP9 P14780 4/20 0.43
MMP8 P22894 4/20 0.43
MMP13 P45452 4/20 0.43
CA2 P00918 4/20 0.42
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA5A P35218 1/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.37
HSD11B1 P28845 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 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
SCHEMBL2903996 0.99 MMP2 (0.42) MMP2MMP1MMP9MMP8MMP13
SCHEMBL59303 0.88 CA2 (0.40) MMP2MMP1MMP9MMP8MMP13
SCHEMBL213386 0.88 CA2 (0.40) MMP2MMP1MMP9MMP8MMP13
SCHEMBL51422 0.86 CA2 (0.38) MMP2MMP1MMP9MMP8MMP13
Trifluoromethanesulfonic Acid SCHEMBL2903525 0.85 ALDH1A1 (0.46) MMP2CA2CA9ALDH1A1CA1
SCHEMBL2903726 0.85 TSHR (0.40) MMP2MMP1MMP9MMP8MMP13
SCHEMBL3284031 0.84 CA2 (0.35) MMP2MMP1MMP9MMP8MMP13
Trifluoromethanesulfonic Acid SCHEMBL12613417 0.83 GPR3 (0.40) MMP2MMP1MMP9MMP8MMP13
SCHEMBL2898675 0.83 TSHR (0.41) MMP2MMP1MMP9MMP8MMP13
SCHEMBL1805421 0.82 CA2 (0.34) MMP2MMP1MMP9MMP8MMP13

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 26 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
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
US-7323284-B2 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2008-01-29 US disclosed
US-6821705-B2 USED AS CHEMICALLY AMPLIFIED RESIST, EXHIBITS HIGH SENSITIVITY, RESOLUTION, RADIATION TRANSMITTANCE, AND SURFACE SMOOTHNESS, AND IS FREE FROM THE PROBLEM OF PARTIAL INSOLUBLIZATION DURING OVEREXPOSURE JSR CORPORATION (JP) 2004-11-23 US disclosed
US-6770780-B1 QUATERNIZATION OF T-BUTYL BROMOACETATE WITH TRI(N-BUTYL)PHOSPHINE TO FORM PHOSPHONIUM SALT; REACTING WITH BASE TO FORM PHOSPHORUS YLIDE; FORMING 2,4,6-TRIS(3', 5'-DI-T-BUTYL-4'-HYDROXYBENZYL)METHYL-STYRENE; HYDROLYSIS JSR CORPORATION (JP) 2004-08-03 US disclosed
US-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-16 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed
US-20030022095-A1 Negative type radiation sensitive resin composition JSR CORPORATION (JP) 2003-01-30 US disclosed
US-20020192593-A1 Used as chemically amplified resist, exhibits high sensitivity, resolution, radiation transmittance, and surface smoothness, and is free from the problem of partial insolublization during overexposure JSR CORPORATION (JP) 2002-12-19 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1253470-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-10-30 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition SRSF1, ARL1, ERCC4 MMP2 2757/4885MMP1 2925/4885MMP9 2464/4885
US-20090280433-A1 RADIATION-SENSITIVE COMPOSITION AND PROCESS FOR PRODUCING LOW-MOLECULAR COMPOUND FOR USE THEREIN ACP1, PLG, ALG1 MMP2 141/4885MMP1 745/4885MMP9 86/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 MMP2 4260/4885MMP1 3977/4885MMP9 4218/4885

“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.