SCHEMBL3596017

SCHEMBL3596017

CCCCCS(=O)(=O)NC(=O)Cc1ccc(Oc2c(C)c(C)nn2C)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.39
ROCK2 O75116 1/20 0.37
MAPK1 P28482 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3612015 0.84 PPARG (0.44) PPARG
SCHEMBL3605188 0.78 CA2 (0.43) ROCK2CA2
SCHEMBL3606995 0.69 LIPG (0.39) PPARG
SCHEMBL3609422 0.69 SMN1; SMN2 (0.51) CA2
SCHEMBL3612387 0.68 SLC22A12 (0.42) CA2
SCHEMBL965763 0.67 PPARG (0.41) PPARG
SCHEMBL3616592 0.66 SMN1; SMN2 (0.39) PPARG
SCHEMBL3609589 0.66 ALDH1A1 (0.39) MAPK1
SCHEMBL3605106 0.65 GPBAR1 (0.36)
SCHEMBL3618268 0.65 GPBAR1 (0.41) PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R PPARG 78/4885ROCK2 4160/4885MAPK1 470/4885

“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.