SCHEMBL25397398

SCHEMBL25397398

O=C(c1ccc(C(F)(F)F)cc1C[SH](=O)=O)c1cnoc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.47
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.37
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
THRB P10828 1/20 0.35
PIM1 P11309 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
AGTR1 P30556 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL18053852 0.87 DHODH (0.50) DHODHKDM4CMEN1KMT2APTGDR2
SCHEMBL27383336 0.86 DHODH (0.45) DHODHKDM4CMEN1KMT2APTGDR2
SCHEMBL27418070 0.84 DHODH (0.43) DHODHKDM4CMEN1KMT2APTGDR2
SCHEMBL27379398 0.84 DHODH (0.34) DHODHCYP1A2CYP2C9CYP2C19
SCHEMBL27298676 0.84 DHODH (0.34) DHODHKDM4CPTGDR2LMNAHTT
SCHEMBL8889548 0.83 DHODH (0.47) DHODHKDM4CMEN1KMT2APTGDR2
SCHEMBL7573020 0.83 DHODH (0.47) DHODHKDM4CMEN1KMT2APTGDR2
SCHEMBL16660699 0.83 DHODH (0.50) DHODHKDM4CMEN1KMT2ANPC1
SCHEMBL9117433 0.83 DHODH (0.46) DHODHKDM4CMEN1KMT2APTGDR2
SCHEMBL7574723 0.83 DHODH (0.46) DHODHKDM4CMEN1KMT2APTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197460-C New herbicidal compositions AVENTIS CROPSCIENCE UK LTD (GB) 2005-04-20 CN claimed
CN-1079641-C Herbicidal compositions of 4-benzoylisoxazole or 2-cyano-1, 3-dione herbicides and antidotes therefor ZENECA LTD (GB) 2002-02-27 CN claimed
US-20230284621-A1 HERBICIDAL COMPOSITIONS PBI-GORDON CORPORATION 2023-09-14 US disclosed
CN-108884470-A HPPD variants and methods of use 拜耳作物科学股份公司 2018-11-23 CN disclosed
CN-102781241-B Method of improving plant yield of soybeans by treatment with herbicides Bayer intellectual property co ltd 2014-08-13 CN disclosed
CN-103907625-A Herbicidal compositions based on carbamoyltriazolinone and methods of use ARYSTA LIFESCIENCE CORP 2014-07-09 CN disclosed
CN-102781241-A Method of improving plant yield of soybeans by treatment with herbicides Bayer intellectual property co ltd 2012-11-14 CN disclosed
CN-1197460-C New herbicidal compositions AVENTIS CROPSCIENCE UK LTD (GB) 2005-04-20 CN disclosed
CN-1066440-C Preparing method for 4-benzoyl isooxazole derivative RHONE POULENC AGROCHIMIE (GB) 2001-05-30 CN disclosed
CN-1205612-A Herbicidal compsns. containing 4-benzoylisoxazoles and hydroxybenzonitrile RHONE POULENC AGRICULTURE (GB) 1999-01-20 CN disclosed
CN-1036305-C Herbicidal composition and use thereof RHONE POULENC AGRICULTURE (GB) 1997-11-05 CN disclosed
CN-1149582-A Preparing method for 4-benzoyl isooxazole derivative RHONE POULENC AGRICULTURE (GB) 1997-05-14 CN 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-20230284621-A1 HERBICIDAL COMPOSITIONS HPD, CYP4X1, DHX15 DHODH 167/4885KDM4C 570/4885MEN1 4663/4885

“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.