SCHEMBL4318930

SCHEMBL4318930

O=S(=O)(O)C1CCC(F)(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
NFKB1 P19838 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRA6 Q16445 1/20 0.46
EPHX2 P34913 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
AKT1 P31749 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL28947686 0.98 TSHR (0.44) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL28947688 0.98 TSHR (0.44) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL12520312 0.86 TSHR (0.38) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL16499932 0.77 EPHX2 (0.32) EPHX2
SCHEMBL5048142 0.75 LMNA (0.46) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL1093575 0.75
SCHEMBL5212 0.74
SCHEMBL4620125 0.74 TSHR (0.63) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL9991970 0.74 TSHR (0.39) TSHRLMNACYP3A4GABRA1GABRG2
SCHEMBL1933922 0.72 TSHR (0.37) TSHRLMNACYP3A4GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP claimed
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-04-13 US disclosed
EP-4098650-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2022-12-07 EP disclosed
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed
WO-2021153720-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT クミアイ化学工業株式会社 2021-08-05 WO disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
EP-2840078-B1 ALKYLPHENYLSULPHIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-01-03 EP disclosed
US-9617267-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-04-11 US disclosed
EP-2501236-B1 N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer PLEXXIKON INC (US) 2017-03-29 EP disclosed
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-07-28 US disclosed
US-9332754-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2016-05-10 US disclosed
US-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-26 US disclosed
EP-2840078-A1 ALKYLPHENYLSULPHIDE DERIVATIVE AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2015-02-25 EP disclosed
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-09-25 US disclosed
US-8673928-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2014-03-18 US disclosed
EP-2501236-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-26 EP disclosed
WO-2009143024-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-11-26 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 (5 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-20150087833-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 TSHR 1221/4885LMNA 4259/4885CYP3A4 1870/4885
US-20160214932-A1 ALKYL PHENYL SULFIDE DERIVATIVE AND PEST CONTROL AGENT C1S, TRPA1, STK39 TSHR 1221/4885LMNA 4259/4885CYP3A4 1870/4885
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT CBR3, ALK, BRS3 TSHR 1118/4885LMNA 3763/4885CYP3A4 1209/4885
US-20140288070-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, KRAS, RAF1 TSHR 933/4885LMNA 4285/4885CYP3A4 2604/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 TSHR 1221/4885LMNA 4259/4885CYP3A4 1870/4885

“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.