SCHEMBL16019358

SCHEMBL16019358

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
CCR2 P41597 1/20 0.37
ADRA1D P25100 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DDR1 Q08345 1/20 0.36
KIF11 P52732 1/20 0.36
TSHR P16473 1/20 0.36
PTGS2 P35354 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.35
SLC6A4 P31645 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
SCHEMBL13141649 0.85 PTGS2 (0.40) KDM4ECCR2ADRA1DADRA2AADRA1A
SCHEMBL16019385 0.79 SMN1; SMN2 (0.55) KIF11PTGS2SMN1; SMN2
SCHEMBL18519118 0.79 KDM4E (0.39) KDM4ECCR2ADRA1DADRA2AADRA1A
SCHEMBL16019362 0.78 CCR2 (0.41) KDM4ECCR2ADRA1DADRA2AADRA1A
SCHEMBL16019376 0.78 SMN1; SMN2 (0.37) CCR2TSHRSMN1; SMN2HTT
SCHEMBL5097716 0.74 CCR2 (0.49) KDM4ECCR2ADRA1DADRA2AADRA1A
SCHEMBL16019394 0.74 TRPV4 (0.43) PTGS2
SCHEMBL16019390 0.74 TDP1 (0.34) SMN1; SMN2
SCHEMBL18897419 0.73 CCR2 (0.42) KDM4ECCR2ADRA1DADRA2AADRA1A
SCHEMBL16019377 0.73 ALDH1A1 (0.45) KDM4ETSHRPTGS2SMN1; SMN2HTT

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 KDM4E 1770/4885CCR2 511/4885ADRA1D 425/4885

“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.