SCHEMBL16972712

SCHEMBL16972712

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(Br)C1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.46
CA12 O43570 9/20 0.46
CA9 Q16790 9/20 0.46
PTGS2 P35354 8/20 0.44
CA1 P00915 7/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA14 Q9ULX7 2/20 0.40

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
SCHEMBL7000674 0.86 PTGS2 (0.48) PTGS2
SCHEMBL7000106 0.83 CA2 (0.53) CA2CA12CA9PTGS2CA1
SCHEMBL6995245 0.82 PTGS2 (0.44) CA2CA12CA9PTGS2CA1
SCHEMBL12169141 0.80 ELANE (0.39) PTGS2MEN1KMT2A
SCHEMBL6999688 0.79 PTGS2 (0.60) CA2CA12CA9PTGS2CA1
SCHEMBL7002002 0.78 PTGS2 (0.56) CA2CA12CA9PTGS2CA1
SCHEMBL1420038 0.78 PGR (0.41) PTGS2KDM4E
SCHEMBL7003386 0.77 CA2 (0.49) CA2CA12CA9PTGS2CA1
SCHEMBL6998878 0.77 PTGS2 (0.57) CA2CA12CA9PTGS2CA1
SCHEMBL6992672 0.77 PTGS2 (0.51) PTGS2

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
CN-111419818-A Pharmaceutical composition comprising furanone and capsule formulation comprising the same 晶体基因技术株式会社 2020-07-17 CN disclosed
US-10413520-B2 Oral pharmacological composition including 5-{4-(amino sulfonyl)phenyl}-2,2-dimethyl-4-(3-fluorophenyl)-3(2H)-furanone having crystalline structure with excellent stability CRYSTALGENOMICS, INC. (KR) 2019-09-17 US disclosed
EP-3099294-B1 PHARMACEUTICAL COMPOSITION INCLUDING 5-{4-(AMINOSULFONYL)PHENYL}-2,2-DIMETHYL-4-(3-FLUOROPHENYL)-3(2H)-FURANONE AND CAPSULE FORMULATION INCLUDING THE PHARMACEUTICAL COMPOSITION CRYSTALGENOMICS INC (KR) 2018-08-01 EP disclosed
US-20180008571-A1 Oral Pharmacological Composition Including 5--2,2-Dimethyl-4-(3-Fluorophenyl)-3(2H)-Furanone Having Crystalline Structure With Excellent Stability CRYSTALGENOMICS, INC. (KR) 2018-01-11 US disclosed
US-20170000759-A1 Pharmaceutical Composition Including 5--2,2-Dimethyl-4-(3-Fluorophenyl)-3(2H)-Furanone And Capsule Formulation Including The Pharmaceutical Composition CRYSTALGENOMICS, INC. (KR) 2017-01-05 US disclosed
EP-3099294-A1 PHARMACEUTICAL COMPOSITION INCLUDING 5-{4-(AMINOSULFONYL)PHENYL}-2,2-DIMETHYL-4-(3-FLUOROPHENYL)-3(2H)-FURANONE AND CAPSULE FORMULATION INCLUDING THE PHARMACEUTICAL COMPOSITION Crystalgenomics Inc. (KR) 2016-12-07 EP disclosed
WO-2015115853-A1 PHARMACEUTICAL COMPOSITION INCLUDING 5-{4-(AMINOSULFONYL)PHENYL}-2,2-DIMETHYL-4-(3-FLUOROPHENYL)-3(2H)-FURANONE AND CAPSULE FORMULATION INCLUDING THE PHARMACEUTICAL COMPOSITION CRYSTALGENOMICS, INC. (KR) 2015-08-06 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 (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-20180008571-A1 Oral Pharmacological Composition Including 5--2,2-Dimethyl-4-(3-Fluorophenyl)-3(2H)-Furanone Having Crystalline Structure With Excellent Stability IL5, CYP3A5, SULT1E1 CA2 1072/4885CA12 3338/4885CA9 2076/4885
US-10413520-B2 Oral pharmacological composition including 5-{4-(amino sulfonyl)phenyl}-2,2-dimethyl-4-(3-fluorophenyl)-3(2H)-furanone having crystalline structure with excellent stability IL5, SULT1E1, CYP2C19 CA2 1319/4885CA12 3430/4885CA9 1776/4885
US-20170000759-A1 Pharmaceutical Composition Including 5--2,2-Dimethyl-4-(3-Fluorophenyl)-3(2H)-Furanone And Capsule Formulation Including The Pharmaceutical Composition IL5, F5, CYP3A5 CA2 1529/4885CA12 2571/4885CA9 2406/4885

“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.