SCHEMBL3489023

SCHEMBL3489023

Cc1nn(CCS(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS2 P35354 3/20 0.36
NR1H2 P55055 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
ATM Q13315 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
SCHEMBL3488338 0.84 ALDH1A1 (0.41) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488481 0.81 PTGS2 (0.43) ALDH1A1MAPK14NPC1RAB9APTGS2
SCHEMBL3488455 0.81 MAPK13 (0.45) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3489886 0.79 ALDH1A1 (0.42) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488495 0.79 ALDH1A1 (0.42) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488270 0.78 PGR (0.49) ALDH1A1LMNANR1H2PGRNR3C2
SCHEMBL3488348 0.78 ALDH1A1 (0.41) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3489977 0.77 ALDH1A1 (0.40) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3490150 0.75 MAPK13 (0.47) ALDH1A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488750 0.74 PGR (0.47) ALDH1A1MAPK14MAPK13MAPK12MAPK11

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 KCNA5 599/4885ALDH1A1 1704/4885MAPK14 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.