SCHEMBL7586111

SCHEMBL7586111

CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl.C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
FFAR1 O14842 2/20 0.32
SCN9A Q15858 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RIPK1 Q13546 1/20 0.31
TBXA2R P21731 3/20 0.30
CYP11B1 P15538 1/20 0.30
CTSA P10619 1/20 0.30
TP53 P04637 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
Clodinafop SCHEMBL7581781 0.84 PTGER4 (0.35) SCN9ARIPK1
Fluazifop SCHEMBL7584395 0.83 LMNA (0.37) SCN9A
Diclofop-Methyl SCHEMBL7581959 0.82 L3MBTL1 (0.34) FFAR1SCN9ARIPK1
SCHEMBL7584500 0.81 FFAR1 (0.38) PTGDR2FFAR1GAARIPK1
SCHEMBL38910 0.80 ALDH1A1 (0.33) GAASMN1; SMN2RIPK1TP53
SCHEMBL7561296 0.80 ALDH1A1 (0.33) GAASMN1; SMN2RIPK1TP53
SCHEMBL30750946 0.80 ALDH1A1 (0.33) GAASMN1; SMN2RIPK1TP53
Bromoxynil SCHEMBL7581476 0.80 MEN1 (0.31)
Quizalofop SCHEMBL7575646 0.80 TP53 (0.42) SMN1; SMN2RIPK1TP53
Fenoxaprop SCHEMBL7578082 0.80 PPARG (0.32) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 US 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-20020004457-A1 Herbicidal composition PPOX, ALAD, DDT PTGDR2 3560/4885SLC22A12 2647/4885GPR119 1389/4885

“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.