SCHEMBL6692495

SCHEMBL6692495

COC(=O)C=C(N)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6692490 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10HCAR2KEAP1
SCHEMBL11959876 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10HCAR2KEAP1
SCHEMBL8923357 0.77 HCAR2 (0.40) TSHRHCAR2KEAP1NFE2L2
SCHEMBL8752313 0.77 HCAR2 (0.40) TSHRHCAR2KEAP1NFE2L2
SCHEMBL713656 0.77 NPSR1 (0.48) ALDH1A1TSHRHSD17B10HCAR2CYP1A2
SCHEMBL21673002 0.77 NPSR1 (0.48) ALDH1A1TSHRHSD17B10HCAR2CYP1A2
SCHEMBL713655 0.77 NPSR1 (0.48) ALDH1A1TSHRHSD17B10HCAR2CYP1A2
SCHEMBL18681846 0.76 HCAR2 (0.43) ALDH1A1HCAR2KEAP1NFE2L2SMN1; SMN2
SCHEMBL15482813 0.74 HCAR2 (0.42) ALDH1A1TSHRHSD17B10HCAR2KEAP1
SCHEMBL15482751 0.74 HCAR2 (0.42) ALDH1A1TSHRHSD17B10HCAR2KEAP1

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-20040254206-A1 Substituted phenyluracils ANDREE ROLAND (DE) 2004-12-16 US disclosed
US-6815398-B1 PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
US-6780821-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20040029735-A1 Substituted herbicidal phenyluracils ANDREE ROLAND (DE) 2004-02-12 US disclosed
US-20040023805-A1 Substituted phenyluracils ANDREE ROLAND (DE) 2004-02-05 US disclosed
US-6649760-B2 Herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-11-18 US disclosed
US-6624120-B1 Such as 1-(4-cyano-2-fluoro-5-(6-methoxy-naphthalen-2-yl-oxy)-phenyl)-2,6-dioxo -1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
CN-1420873-A Substituted phenyluracils BAYER AG (DE) 2003-05-28 CN disclosed
US-6528455-B1 Post or preemergence herbicides such as 3-(4-chloro-2-fluoro -5-(1-methoxycarbonyl-1-vinyloxy)phenyl)-1-methyl-6-trifluoro methyl-2,4-pyrimidinedione BASF AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-20020173425-A1 Substituted phenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2002-11-21 US disclosed
US-6423866-B1 THERMOLYSIS OF AMMONIUM SALT OF HALOGENATED LOWER ALKYL ACETOACETATE USING MELT SOLVAYTFLOUR UND DERIVATE GMBH (DE) 2002-07-23 US disclosed
US-5888940-A DESICCATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-30 US disclosed
EP-0862569-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997008171-A1 SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION BASF AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed
US-4964895-A Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4948902-A Process for making substituted pyrazoles MONSANTO COMPANY (US) 1990-08-14 US disclosed
EP-0295233-A2 Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides Monsanto Company (US) 1988-12-14 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 (4 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-20020173425-A1 Substituted phenyluracils DPYD, POP1, G6PD ALDH1A1 44/4885TSHR 920/4885HSD17B10 2520/4885
US-20040029735-A1 Substituted herbicidal phenyluracils DDT, MTX1, MTX2 ALDH1A1 124/4885TSHR 1425/4885HSD17B10 1441/4885
US-20040023805-A1 Substituted phenyluracils DPYD, POP1, G6PD ALDH1A1 44/4885TSHR 920/4885HSD17B10 2520/4885
US-20040254206-A1 Substituted phenyluracils DPYD, NDUFS5, POP1 ALDH1A1 96/4885TSHR 1705/4885HSD17B10 2460/4885

“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.