SCHEMBL3490150

SCHEMBL3490150

Cc1nn(CCCCS(C)(=O)=O)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 2/20 0.41
PTGS2 P35354 4/20 0.40
NR3C2 P08235 6/20 0.39
PGR P06401 4/20 0.39
AR P10275 1/20 0.38
ATM Q13315 1/20 0.37
SMPD1 P17405 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL3488455 0.91 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3489385 0.83 SMPD1 (0.46) ALDH1A1NR3C2PGRARSMPD1
SCHEMBL3487986 0.83 NR3C2 (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3488495 0.82 ALDH1A1 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3489886 0.82 ALDH1A1 (0.42) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3488293 0.82 NR3C2 (0.39) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3489968 0.82 NR3C2 (0.48) ALDH1A1NR3C2PGRARSMPD1
SCHEMBL3488225 0.81 NR3C2 (0.49) MAPK14ALDH1A1NR3C2PGRAR
SCHEMBL3489732 0.81 NR3C2 (0.54) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL3488338 0.81 ALDH1A1 (0.41) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 MAPK13 334/4885MAPK12 521/4885MAPK11 375/4885

“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.