SCHEMBL513729

SCHEMBL513729

O=[C]c1cccc(SC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RXFP1 Q9HBX9 3/20 0.33
PTPRZ1 P23471 3/20 0.33
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN1 P18031 2/20 0.32
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
CFTR P13569 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL514766 0.81 LMNA (0.36) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL19638930 0.81 PTPN1 (0.44) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL31046876 0.81 ENPP2 (0.40) TSHRMAPK1KDM4EALDH1A1TDP1
SCHEMBL10566578 0.81 ENPP2 (0.40) TSHRMAPK1KDM4EALDH1A1TDP1
SCHEMBL17870969 0.75 ALDH1A1 (0.52) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL514188 0.74 LMNA (0.40) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL27834658 0.73 LMNA (0.37) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL5202152 0.73 KMT2A (0.34) LMNAMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL514198 0.73 LMNA (0.35) TRPV1LMNAMAPTTSHRMAPK1
SCHEMBL1133882 0.73 MAPK1 (0.38) TRPV1LMNAMAPTTSHRMAPK1

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
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2023192814-A1 BENZAMIDE ENAMINONE DERIVATIVES AND METHODS OF USE THEREOF UNIVERSITY OF MARYLAND, EASTERN SHORE (US) 2023-10-05 WO disclosed
US-20210007356-A1 IMIDE DERIVATIVE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2021-01-14 US disclosed
EP-3760627-A1 IMIDE DERIVATIVE AND BACTERICIDE CONTAINING SAME AS ACTIVE INGREDIENT Hokko Chemical Industry Co., Ltd. (JP) 2021-01-06 EP disclosed
CN-111788200-A Imide derivative and fungicide comprising the same as active ingredient 北兴化学工业株式会社 2020-10-16 CN disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 TRPV1 3056/4885LMNA 4076/4885MAPT 4824/4885
US-20210007356-A1 IMIDE DERIVATIVE AND FUNGICIDE CONTAINING SAID DERIVATIVE AS ACTIVE INGREDIENT CYP51A1, DDT, CYP1A1 TRPV1 1566/4885LMNA 4273/4885MAPT 4158/4885

“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.