SCHEMBL3487832

SCHEMBL3487832

Cc1nn(CCCC(F)(F)F)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.51
PGR P06401 7/20 0.51
AR P10275 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
SLC34A1 Q06495 1/20 0.36
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
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
SCHEMBL3488661 0.96 NR3C2 (0.48) NR3C2PGRARMAPTALDH1A1
SCHEMBL3488305 0.92 PGR (0.43) NR3C2PGRARMAPTALDH1A1
SCHEMBL3488254 0.85 PGR (0.50) NR3C2PGRARMAPTALDH1A1
SCHEMBL3488293 0.85 NR3C2 (0.39) NR3C2PGRARMAPTALDH1A1
SCHEMBL3489968 0.85 NR3C2 (0.48) NR3C2PGRARMAPTALDH1A1
SCHEMBL3489385 0.84 SMPD1 (0.46) NR3C2PGRARMAPTALDH1A1
SCHEMBL3487986 0.84 NR3C2 (0.39) NR3C2PGRARMAPTALDH1A1
SCHEMBL3488225 0.84 NR3C2 (0.49) NR3C2PGRARMAPTALDH1A1
SCHEMBL3488178 0.83 MAPT (0.41) NR3C2PGRARMAPTALDH1A1
SCHEMBL3488809 0.82 ALDH1A1 (0.39) NR3C2PGRARMAPTALDH1A1

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 NR3C2 1/4885PGR 107/4885AR 31/4885

“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.