SCHEMBL16019394

SCHEMBL16019394

CC(C)(C)C(C)(C)c1ccc(C#N)cc1S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.43
RAD51 Q06609 1/20 0.41
EPAS1 Q99814 3/20 0.36
TBXA2R P21731 6/20 0.36
PTGS2 P35354 1/20 0.36
ALPL P05186 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ELANE P08246 2/20 0.35
CASP3 P42574 1/20 0.34

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
SCHEMBL18469731 0.86 TRPV4 (0.45) TRPV4RAD51EPAS1TBXA2RPTGS2
SCHEMBL10164103 0.75 RAD51 (0.45) TRPV4RAD51EPAS1PTGS2ALPL
SCHEMBL16019385 0.75 SMN1; SMN2 (0.55) PTGS2
SCHEMBL125367 0.75 RAD51 (0.45) TRPV4RAD51EPAS1TBXA2RPTGS2
SCHEMBL13211338 0.75 SMN1; SMN2 (0.59) TRPV4RAD51EPAS1ALPL
SCHEMBL16019362 0.74 CCR2 (0.41) TRPV4
SCHEMBL15412234 0.74 ACLY (0.49) TRPV4RAD51EPAS1TBXA2RPTGS2
SCHEMBL12560333 0.74 VCAM1 (0.46) TRPV4RAD51EPAS1PTGS2ELANE
SCHEMBL8255487 0.74 RAD51 (0.44) TRPV4RAD51EPAS1PTGS2CA1
SCHEMBL16019376 0.74 SMN1; SMN2 (0.37)

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 TRPV4 3758/4885RAD51 3713/4885EPAS1 4565/4885

“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.