SCHEMBL6932640

SCHEMBL6932640

O=S(=O)(Oc1cccc(O)c1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 3/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD5 P21918 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39

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
SCHEMBL5178160 0.86 CA1 (0.56) STSCA2CA9CA1DRD2
SCHEMBL13416088 0.81 CA1 (0.45) CA2CA9CA1DRD2DRD1
SCHEMBL5177944 0.81 CA1 (0.50) CA2CA9CA1ESR2DRD2
SCHEMBL15205101 0.80 MEN1 (0.51) CYP3A4CA2CA9CA1ESR1
SCHEMBL778690 0.79 CA1 (0.44) STSCA2CA9CA1DRD2
SCHEMBL18532799 0.79 CA1 (0.48) STSCA2CA9CA1DRD2
SCHEMBL2349455 0.79 ACHE (0.44) CYP3A4CA2CA9CA1DRD2
SCHEMBL14562524 0.79 PPARG (0.56) STS
SCHEMBL3669789 0.79 STS (0.65) STSHSD11B1
SCHEMBL1243178 0.79 STS (0.51) STSCYP3A4CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 — — EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 — — US disclosed
CN-104418801-B Benzo piperidine ring and benzo morpholine cyclics, its preparation method and medical applications 上海润诺生物科技有限公司 2016-10-05 — — CN disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 — — US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 — — EP disclosed
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 — — CN disclosed
CN-1200925-C Aromatic carboxylic acid compound, acid halide derivative thereof, and process for producing the same SUMITOMO BAKELITE CO (JP) 2005-05-11 — — CN disclosed
CN-1474800-A Aromatic carboxylic acid compound, acid halide derivative thereof, and process for producing the same 住友电木株式会社 2004-02-11 — — CN disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 — — EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 — — US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 — — US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 — — US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 — — 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 (2 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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT STS 221/4885CYP3A4 301/4885CA2 3856/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 STS 2425/4885CYP3A4 237/4885CA2 163/4885

“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.

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