SCHEMBL3488950

SCHEMBL3488950

Cc1nn(CCSC(C)C)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
SLC34A1 Q06495 1/20 0.35
MAPK14 Q16539 7/20 0.34
MAPK13 O15264 5/20 0.34
MAPK12 P53778 5/20 0.34
MAPK11 Q15759 5/20 0.34
GCGR P47871 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
NR3C2 P08235 5/20 0.34
PGR P06401 4/20 0.34
AR P10275 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
SLC2A1 P11166 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
SCHEMBL3488492 0.85 MAPK14 (0.44) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3490106 0.83 ALDH1A1 (0.37) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3488871 0.82 CSNK2A1 (0.41) ALDH1A1SLC34A1MAPK14MAPTGAA
SCHEMBL3487983 0.81 NR3C2 (0.38) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3488750 0.81 PGR (0.47) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3488809 0.81 ALDH1A1 (0.39) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3488471 0.81 MAPK14 (0.49) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3488467 0.80 ALDH1A1 (0.37) ALDH1A1SLC34A1MAPK14MAPK13MAPK12
SCHEMBL3488964 0.80 MAPK14 (0.42) ALDH1A1SLC34A1MAPK14MAPTGAA
SCHEMBL3488055 0.80 SLC2A1 (0.39) ALDH1A1SLC34A1MAPK14MAPK13MAPK12

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 ALDH1A1 1704/4885SLC34A1 982/4885MAPK14 646/4885

“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.