SCHEMBL4249989

SCHEMBL4249989

Cc1ccc(SOS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.40
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA5A P35218 2/20 0.39
MLYCD O95822 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 7/20 0.34
ALDH1A1 P00352 6/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HKDC1 Q2TB90 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX12 P18054 1/20 0.33
LMNA P02545 2/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL3684084 0.83 ALDH1A1 (0.33) CA1CA2GAAALDH1A1
SCHEMBL3374912 0.82 CA2 (0.36) CA1CA2CA9CA5AMAPT
SCHEMBL4263921 0.82 CA1 (0.40) CA1CA2CA9GAAMAPT
SCHEMBL3683894 0.82 PKM (0.41) CA1CA2CA9GAAALDH1A1
SCHEMBL4575025 0.81 ALDH1A1 (0.37) CA1CA2CA9GAAMAPT
SCHEMBL29048521 0.76 SMN1; SMN2 (0.55) CA1CA2CA9GAAMAPT
SCHEMBL23241350 0.73 DNMT1 (0.52) DNMT1CA1CA2CA9CA5A
SCHEMBL2750188 0.72 CA2 (0.57) CA1CA2CA9CA5AGAA
Hydrogen Sulfide SCHEMBL6248782 0.71 CA2 (0.55) CA1CA2CA9CA5AGAA
SCHEMBL5114461 0.71 GLA (0.43) CA1CA2CA9CA5AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190247495-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY 2019-08-15 US disclosed
US-9975830-B2 Compound containing modified phenolic hydroxy group, method for producing compound containing modified phenolic hydroxy group, photosensitive composition, resist material, and resist coating film DIC CORPORATION (JP) 2018-05-22 US disclosed
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2017-12-07 US disclosed
US-20170066703-A1 COMPOUND CONTAINING MODIFIED PHENOLIC HYDROXY GROUP, METHOD FOR PRODUCING COMPOUND CONTAINING MODIFIED PHENOLIC HYDROXY GROUP, PHOTOSENSITIVE COMPOSITION, RESIST MATERIAL, AND RESIST COATING FILM DIC CORPORATION (JP) 2017-03-09 US disclosed
WO-2016044164-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES WAYNE STATE UNIVERSITY (US) 2016-03-24 WO disclosed
US-20090105466-A1 METHOD FOR PREPARING HEXOSE DERIVATIVES NATIONAL TSING HUA UNIVERSITY (TW) 2009-04-23 US disclosed
US-20050136485-A1 Iterative one-pot oligosaccharide synthesis UNIVERSITY OF TOLEDO, THE 2005-06-23 US disclosed
US-5679496-A CONTAINING SULFONIUM SALT HAVING TERT-BUTOXYCARBONYLMETHOXY GROUP(S) AS ACID LABILE GROUPS; SENSITIVITY, RESOLUTION, ETCH AND HEAT RESISTANCE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-10-21 US disclosed
US-5380923-A Semiconductors MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-10 US disclosed
WO-1994025507-A1 POLYMERIC SULFONIUM SALTS AND METHOD OF PREPARATION THEREOF MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-11-10 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-20170066703-A1 COMPOUND CONTAINING MODIFIED PHENOLIC HYDROXY GROUP, METHOD FOR PRODUCING COMPOUND CONTAINING MODIFIED PHENOLIC HYDROXY GROUP, PHOTOSENSITIVE COMPOSITION, RESIST MATERIAL, AND RESIST COATING FILM PAH, TYR, HACL2 DNMT1 1449/4885CA1 4756/4885CA2 3888/4885
US-20190247495-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A DNMT1 4594/4885CA1 2739/4885CA2 3415/4885
US-20050136485-A1 Iterative one-pot oligosaccharide synthesis OGA, OGT, FUT6 DNMT1 1497/4885CA1 1518/4885CA2 3543/4885
US-20170348414-A1 NOVEL SYNTHETIC ANTICANCER, ANTIFUNGAL, AND ANTIBACTERIAL VACCINES ERG28, DDOST, STT3A DNMT1 4594/4885CA1 2739/4885CA2 3415/4885

“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.