SCHEMBL732953

SCHEMBL732953

COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA7 P43166 1/20 0.46
KDM4E B2RXH2 6/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
NFKB1 P19838 1/20 0.44
XDH P47989 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
FUT7 Q11130 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL27861923 0.94 NOTUM (0.45) NOTUMCA12CA1CA2CA9
SCHEMBL21609843 0.90 NOTUM (0.60) NOTUMCA12CA1CA2CA9
SCHEMBL29659866 0.90 NOTUM (0.60) NOTUMCA12CA1CA2CA9
SCHEMBL28667831 0.83 POLB (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL29144762 0.82 CA1 (0.56) CA12CA1CA2CA9CA14
SCHEMBL6002200 0.79 EPAS1 (0.49) NOTUMLMNAALDH1A1EPAS1MEN1
SCHEMBL7286109 0.78 EPAS1 (0.48) NOTUMCA12CA1CA2CA9
SCHEMBL732952 0.77 NOTUM (0.45) NOTUMCA12CA1CA2CA9
SCHEMBL3343549 0.77 CA12 (0.52) NOTUMCA12CA1CA2CA9
SCHEMBL732949 0.77 LCK (0.57) CA12CA1CA2CA9CA14

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-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
EP-1333050-B1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO (JP) 2006-12-27 EP disclosed
US-7049371-B2 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2006-05-23 US disclosed
US-6949674-B2 Aromatic carboxylic acids, acid halides thereof and processes for preparing both SUMITOMO BAKELITE COMPANY, LTD. (JP) 2005-09-27 US disclosed
US-20040068139-A1 Aromatic carboxylic acids, acid halides thereof and processes for preparing both SUMITOMO BAKELITE COMPANY, LTD. (JP) 2004-04-08 US disclosed
US-20040002572-A1 Material for an insulating film, coating varnish for an insulating film, and insulating film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2004-01-01 US disclosed
EP-1346975-A1 AROMATIC CARBOXYLIC ACIDS, ACID HALIDES THEREOF AND PROCESSES FOR PREPARING BOTH SUMITOMO BAKELITE CO., LTD. (JP) 2003-09-24 EP disclosed
EP-1333050-A1 MATERIAL FOR INSULATING FILM, COATING VARNISH FOR INSULATING FILM, AND INSULATING FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE CO., LTD. (JP) 2003-08-06 EP disclosed
EP-1327653-A1 HEAT-RESISTANT RESIN PRECURSOR, HEAT-RESISTANT RESIN AND INSULATING FILM AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2003-07-16 EP disclosed
US-6518390-B2 Polybenzoxazole and crosslinking agent SUMITOMO BAKELITE COMPANY, LTD. (JP) 2003-02-11 US disclosed
US-20020013443-A1 Precursor of a heat resistant resin, heat resistant resin, insulating film and semiconductor device SUMITOMO BAKELITE CO., LTD. (JP) 2002-01-31 US 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-20040068139-A1 Aromatic carboxylic acids, acid halides thereof and processes for preparing both CCR1, CCRL2, CCR6 NOTUM 2645/4885CA12 1958/4885CA1 592/4885

“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.