SCHEMBL16019376

SCHEMBL16019376

CC(C)(C)C(C)(C)c1ccc(Br)cc1S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
WDR5 P61964 5/20 0.37
GAA P10253 3/20 0.36
CCR2 P41597 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29217890 0.81 KIF11 (0.42) WDR5CCR2
SCHEMBL2593145 0.81 WDR5 (0.40) SMN1; SMN2TSHRGLAWDR5GAA
SCHEMBL16019385 0.79 SMN1; SMN2 (0.55) SMN1; SMN2GLAALDH1A1LMNA
SCHEMBL16019358 0.78 KDM4E (0.37) SMN1; SMN2TSHRCCR2HTT
SCHEMBL16019362 0.78 CCR2 (0.41) TSHRCCR2ALDH1A1
SCHEMBL23291833 0.77 WDR5 (0.35) SMN1; SMN2TSHRGLAWDR5GAA
SCHEMBL23291772 0.77 PTGDR2 (0.38) TSHRWDR5PTGDR2ALDH1A1CYP2D6
SCHEMBL16019408 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL3112984 0.76 CCR2 (0.44) SMN1; SMN2TSHRGLAWDR5GAA
SCHEMBL4157506 0.74 LMNA (0.47) SMN1; SMN2TSHRGLAWDR5CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-9693556-B2 Herbicidal pyridazinone derivatives SYNGENTA LIMITED (GB) 2017-07-04 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 US disclosed
US-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES SYNGENTA LIMITED (GB) 2014-09-11 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-20140256546-A1 HERBICIDAL PYRIDAZINONE DERIVATIVES PRDX6, PRDX1, CBR3 SMN1; SMN2 4594/4885TSHR 391/4885GLA 3844/4885

“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.