SCHEMBL6053237

SCHEMBL6053237

CC(F)(F)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
HTR6 P50406 5/20 0.46
PSIP1 O75475 1/20 0.44
APOBEC3G Q9HC16 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
PLA2G7 Q13093 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL12727382 0.87 CA12 (0.50) HSD11B1ALDH1A1CA1CA2CA9
SCHEMBL384939 0.80 HTR6 (0.50) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
SCHEMBL6544675 0.80 HTR6 (0.50) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
SCHEMBL780280 0.80 ALDH1A1 (0.60) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
SCHEMBL777153 0.80 HTR6 (0.50) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
SCHEMBL28144575 0.79 HSD11B1 (0.46) HSD11B1HTR6PSIP1ALDH1A1CA1
SCHEMBL19033894 0.78 HTR6 (0.48) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
SCHEMBL5664875 0.78 HTR6 (0.48) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
Fluoride SCHEMBL775526 0.78 ALDH1A1 (0.58) HSD11B1HTR6PSIP1APOBEC3GALDH1A1
SCHEMBL13950431 0.77 ALDH1A1 (0.50) HSD11B1ALDH1A1CA1CA2CA5A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION THE ROSALIND FRANKLIN INSTITUTE (GB) 2023-08-31 US disclosed
US-8173350-B2 Oxime compound and resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110091808-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 US disclosed
US-20100021847-A1 Oxime Compound and Resist Composition Containing the Same SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-01-28 US disclosed
US-7119232-B2 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2006-10-10 US disclosed
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes UNIVERSITY OF SOUTHERN CALIFORNIA 2006-03-09 US disclosed
WO-2005097739-A2 NUCLEOPHILIC SUBSTITUTION REACTIONS OF DIFLUOROMETHYL PHENYL SULFONE WITH ALKYL HALIDES LEADING TO THE FACILE SYNTHESIS OF TERMINAL 1,1-DIFLUORO-1-ALKENES AND DIFLUOROMETHYLALKANES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-10-20 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 (4 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-20110091808-A1 PHOTORESIST COMPOSITION ASIC1, ASIC3, SUN2 HSD11B1 4628/4885HTR6 4714/4885PSIP1 862/4885
US-20230272002-A1 PHOTOREDOX PROTEIN MODIFICATION PPOX, CACYBP, BRI3BP HSD11B1 4105/4885HTR6 4672/4885PSIP1 200/4885
US-20060052643-A1 Nucleophilic substitution reactions of difluorormethyl phenyl sulfone with alkyl halides leading to the facile synthesis of terminal 1,1-difluoro-1-alkenes and difluoromethylalkanes PFAS, FRK, PFKFB1 HSD11B1 1687/4885HTR6 2603/4885PSIP1 1415/4885
US-20100021847-A1 Oxime Compound and Resist Composition Containing the Same CYC1, UQCRB, CBR1 HSD11B1 275/4885HTR6 2373/4885PSIP1 4546/4885

“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.