SCHEMBL5438348

SCHEMBL5438348

NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.61
CASP1 P29466 1/20 0.51
DGAT1 O75907 1/20 0.50
DHODH Q02127 1/20 0.50
GPR52 Q9Y2T5 1/20 0.47
CSF1R P07333 1/20 0.45
PARP1 P09874 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL2920377 0.86 DGAT1 (0.56) KIF11CASP1DGAT1GPR52KDM4E
SCHEMBL4464473 0.85 KIF11 (0.55) KIF11DHODHKDM4EALDH1A1HPGD
SCHEMBL17732182 0.83 KIF11 (0.54) KIF11CASP1ALDH1A1TRPV1APP
SCHEMBL17732180 0.83 KIF11 (0.54) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5422686 0.83 KIF11 (0.58) KIF11DGAT1
SCHEMBL30131431 0.81 IKBKB (0.61) DGAT1DHODH
SCHEMBL13927718 0.81 IKBKB (0.61) DGAT1DHODH
SCHEMBL8336975 0.80 CHUK (0.66) KIF11CASP1DHODHCSF1RPARP1
SCHEMBL17688761 0.80 CFTR (0.57) KIF11KDM4ETRPV1APP
SCHEMBL23367143 0.78 CASP1 (0.49) KIF11CASP1DHODHPARP1KDM4E

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
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US claimed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP claimed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO claimed
CN-106795167-B Pesticidally active tetracyclic heterocyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2021-02-09 CN disclosed
US-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-01-28 US disclosed
US-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2020-01-28 US disclosed
EP-3207044-B1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-07-25 EP disclosed
EP-3207044-B1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-07-25 EP disclosed
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-24 US disclosed
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-24 US disclosed
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-24 US disclosed
EP-3207044-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-08-23 EP disclosed
WO-2016059145-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 WO disclosed
WO-2016059145-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-04-21 WO disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A KIF11 8/4885CASP1 3378/4885DGAT1 4287/4885
US-10544148-B2 Pesticidally active tetracyclic heterocyclic derivatives with sulphur containing substituents DDT, ACHE, TST KIF11 3660/4885CASP1 224/4885DGAT1 1876/4885
US-20170240554-A1 PESTICIDALLY ACTIVE TETRACYCLIC HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, TST KIF11 3660/4885CASP1 224/4885DGAT1 1876/4885

“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.