SCHEMBL3980030

SCHEMBL3980030

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(-c2ccccc2I)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.43
MMP2 P08253 5/20 0.43
MMP9 P14780 5/20 0.43
MMP8 P22894 5/20 0.43
MMP13 P45452 5/20 0.43
CA2 P00918 3/20 0.41
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGS2 P35354 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL3982975 0.99 MMP1 (0.42) MMP1MMP2MMP9MMP8MMP13
Trifluoromethanesulfonic Acid SCHEMBL3987054 0.86 PTGS2 (0.40) CA2HSD11B1MEN1LMNAMAPT
SCHEMBL1805425 0.83 HSD11B1 (0.41) MMP1MMP2MMP9MMP8MMP13
SCHEMBL1800750 0.80 HDAC4 (0.40) HSD11B1MEN1MAPTKMT2ANPSR1
SCHEMBL1804140 0.79 HDAC4 (0.41) HSD11B1MEN1MAPTKMT2ANPSR1
SCHEMBL4654640 0.78 ALDH1A1 (0.50) CA2MEN1LMNAMAPTKMT2A
SCHEMBL4654724 0.78 PTPN11 (0.50) MMP1CA2HSD11B1MEN1LMNA
SCHEMBL4655795 0.77 AKR1C3 (0.40) HSD11B1MEN1LMNAKMT2APTGS2
SCHEMBL4654801 0.76 SMN1; SMN2 (0.46) MMP1MMP2MMP9MMP13CA2
SCHEMBL4654720 0.76 PTGS2 (0.38) CA2MEN1LMNAMAPTKMT2A

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 9 patents. 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
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-20060078821-A1 A caroboxyalkylanthracene based compound, a hydroxy or alkoxystyrene polymer, and a sulfonimide compound as photoacid generator; low sublimation properties and excellent compatibility with other components; exhibits optimum controllability of radiation transmittance; microfabrication JSR CORPORATION (JP) 2006-04-13 US disclosed
EP-1640804-A2 Positive-tone radiation-sensitive resin composition JSR Corporation (JP) 2006-03-29 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 MMP1 745/4885MMP2 141/4885MMP9 86/4885

“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.