SCHEMBL6308458

SCHEMBL6308458

CCS(=O)(=O)Nc1cc(-n2nc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.40
DHODH Q02127 11/20 0.39
AR P10275 1/20 0.37
BRD4 O60885 1/20 0.37
CTSK P43235 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
SCHEMBL7157679 0.99 PGR (0.39) PGRDHODHARBRD4CTSK
Potassium SCHEMBL7157685 0.99 PGR (0.39) PGRDHODHARBRD4CTSK
SCHEMBL6307788 0.90 CTSK (0.36) PGRDHODHARBRD4CTSK
SCHEMBL6106477 0.90 DHODH (0.40) PGRDHODHCTSK
SCHEMBL8829582 0.85 DHODH (0.42) DHODHCTSK
SCHEMBL6310409 0.85 PGR (0.39) PGRDHODHARBRD4
SCHEMBL6174842 0.82 PGR (0.41) PGRARBRD4
SCHEMBL6310318 0.82 CTSK (0.36) DHODHARCTSK
SCHEMBL6103445 0.81 DHODH (0.42) DHODHCTSK
SCHEMBL7754754 0.81 AR (0.38) PGRARBRD4

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-6297192-B1 MIXTURES OF HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-02 US claimed
US-6841517-B1 Selective herbicides on basis of N-aryl-triazoline(thi)ones BAYER AKTIENGESELLSCHAFT (DE) 2005-01-11 US disclosed
EP-0956283-B1 SUBSTITUTED PHENYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-06-11 EP disclosed
EP-1049376-B1 SELECTIVE HERBICIDES BASED ON N-ARYL- TRIAZOLINE(THI)ONS AND N-ARLYSULFONYLAMINO (THIO)CARBONYL- TRIAZOLINE(THI) ONS BAYER AG (DE) 2002-10-16 EP disclosed
EP-1221848-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES Bayer Aktiengesellschaft (DE) 2002-07-17 EP disclosed
US-6350720-B2 CONTROLLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-26 US disclosed
US-6297192-B1 MIXTURES OF HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed
US-20010009887-A1 SUBSTITUTED PHENYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES BAKER AKTIENGESELLSCHAFT (DE) 2001-07-26 US disclosed
WO-2001022819-A1 SELECTIVE HERBICIDES ON THE BASIS OF N-ARYL-TRIAZOLINE(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
EP-1049376-A1 SELECTIVE HERBICIDES BASED ON N-ARYL- TRIAZOLINE(THI)ONS AND N-ARLYSULFONYLAMINO (THIO)CARBONYL- TRIAZOLINE(THI) ONS Bayer Aktiengesellschaft (DE) 2000-11-08 EP disclosed
EP-0956283-A1 SUBSTITUTED PHENYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-11-17 EP disclosed
WO-1999037153-A1 SELECTIVE HERBICIDES BASED ON N-ARYL- TRIAZOLINE(THI)ONS AND N-ARLYSULFONYLAMINO (THIO)CARBONYL- TRIAZOLINE(THI) ONS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 WO disclosed
EP-0888312-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES BAYER AG (DE) 1999-01-07 EP disclosed
EP-0888314-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES BAYER AG (DE) 1999-01-07 EP disclosed
WO-1998032746-A1 SUBSTITUTED PHENYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-30 WO disclosed
WO-1997033875-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
WO-1997033876-A1 PROCESS FOR PRODUCING SUBSTITUTED AROMATIC THIOCARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-18 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 (1 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-20010009887-A1 SUBSTITUTED PHENYLTRIAZOLIN(THI)ONES AND THEIR USE AS HERBICIDES CYP2B6, CYP2D6, CYP2A6 PGR 1527/4885DHODH 835/4885AR 1204/4885

“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.