SCHEMBL3616592

SCHEMBL3616592

CCCCCS(=O)(=O)NC(=O)[C@H](C)Oc1cc(Sc2c(C)c(C)nn2C)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 17/20 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
SCHEMBL3599746 0.71 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3606243 0.71 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3599634 0.70 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3610769 0.70 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1GAA
SCHEMBL3603499 0.69 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3613880 0.69 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3615104 0.69 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3601746 0.68 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3615618 0.68 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1GAAPPARG
SCHEMBL3596017 0.66 PPARG (0.39) 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 SMN1; SMN2 4515/4885ALDH1A1 365/4885GAA 405/4885

“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.