SCHEMBL3159924

SCHEMBL3159924

Fc1ccc2sc3ccc(F)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 6/20 0.42
PMM2 O15305 3/20 0.42
APOBEC3G Q9HC16 3/20 0.42
G6PD P11413 2/20 0.42
PHOSPHO1 Q8TCT1 2/20 0.40
TLR9 Q9NR96 1/20 0.40
GPR3 P46089 1/20 0.39
MAPT P10636 3/20 0.39
GFER P55789 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
AXL P30530 1/20 0.39
POLB P06746 1/20 0.39
MIF P14174 2/20 0.38
BCKDK O14874 1/20 0.37
KIF11 P52732 1/20 0.36
ACHE P22303 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL29707472 1.00 MPI (0.42) MPIPMM2APOBEC3GG6PDPHOSPHO1
SCHEMBL19114661 0.89 GPR3 (0.61) MPIPMM2APOBEC3GG6PDPHOSPHO1
SCHEMBL28824207 0.87 MPI (0.36) MPIPMM2APOBEC3GG6PDPHOSPHO1
SCHEMBL11707874 0.87 RAB9A (0.47) MPIPMM2APOBEC3GG6PDPHOSPHO1
SCHEMBL28824192 0.87 IDO1 (0.51) MPIPMM2G6PDPHOSPHO1ALDH1A1
SCHEMBL28824198 0.87 EPM2A (0.49) MPIPMM2APOBEC3GG6PDPHOSPHO1
SCHEMBL29315038 0.82 KIF11 (0.40) MPIPMM2APOBEC3GG6PDMAPT
SCHEMBL11714259 0.79 HSPB1 (0.47) G6PDTLR9MAPTALDH1A1POLB
SCHEMBL11574705 0.79 KDM4E (0.47) MPIPMM2APOBEC3GG6PDPHOSPHO1
SCHEMBL31344116 0.77 KDM4E (0.64) MPIPMM2APOBEC3GPHOSPHO1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805295-A Method for purifying halogenated dibenzothiophene compound 江苏南大光电材料股份有限公司 2022-07-29 CN claimed
US-20230355482-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2023-11-09 US disclosed
CN-110872230-B Preparation method of 1- (trifluoromethyl) cyclopropane-1-carboxylic acid compound and intermediate thereof 浙江九洲药业股份有限公司 2023-07-28 CN disclosed
CN-114805295-A Method for purifying halogenated dibenzothiophene compound 江苏南大光电材料股份有限公司 2022-07-29 CN disclosed
CN-107540655-B Novel method for preparing S- (perfluoroalkyl) -dibenzothiophene trifluoromethanesulfonate 浙江九洲药业股份有限公司 2021-04-06 CN disclosed
CN-110872230-A Preparation method and intermediate of 1- (trifluoromethyl) cyclopropane-1-carboxylic acid compound 浙江九洲药业股份有限公司 2020-03-10 CN disclosed
US-10155739-B2 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2018-12-18 US disclosed
US-20170349567-A1 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2017-12-07 US disclosed
US-20170349567-A1 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2017-12-07 US disclosed
US-20170349567-A1 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2017-12-07 US disclosed
WO-2016107578-A1 HALOGENATED S-(PERFLUOROALKYL) DIBENZOTHIOPHENIUM SALT AND ITS PRODUCTION METHODS ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2016-07-07 WO disclosed
EP-1334956-B1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL CO (JP) 2010-03-17 EP disclosed
US-6916938-B2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-12 US disclosed
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-09-11 US disclosed
EP-1334956-A2 Method for preparing sulfone or sulfoxide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-13 EP disclosed
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 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 (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-10155739-B2 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods FGFR2, SULT1A1, PFAS MPI 4178/4885PMM2 3534/4885APOBEC3G 2376/4885
US-20170349567-A1 Halogenated S-(perfluoroalkyl)dibenzothiophenium salt and its production methods FGFR2, SULT1A1, PFAS MPI 4178/4885PMM2 3534/4885APOBEC3G 2376/4885
US-20030171589-A1 Method for preparing sulfone or sulfoxide compound TST, SDHB, GPX4 MPI 649/4885PMM2 363/4885APOBEC3G 2174/4885
US-20230355482-A1 DENTAL COMPOSITION TAS2R39, ERCC1, INTS9 MPI 1684/4885PMM2 3876/4885APOBEC3G 1957/4885

“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.