SCHEMBL5128049

SCHEMBL5128049

CC(C)(CO)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.61
CYP3A4 P08684 2/20 0.61
PGR P06401 1/20 0.61
CES2 O00748 1/20 0.57
ABCB11 O95342 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
TBXA2R P21731 1/20 0.57
AADAC P22760 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADRA1A P35348 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL3059875 0.84 AR (0.64) ARCYP3A4PGRCES2ABCB11
SCHEMBL5130515 0.82 ALDH1A1 (0.52) ARCYP3A4PGRALDH1A1LMNA
SCHEMBL5124425 0.82 GPR35 (0.46) ARCYP3A4PGRCES2ABCB11
SCHEMBL14086875 0.80 AR (0.80) ARCYP3A4PGR
SCHEMBL8292123 0.78 AR (0.63) ARCYP3A4PGRCES2ABCB11
SCHEMBL12932891 0.78 AR (0.60) ARCYP3A4PGRCES2ABCB11
SCHEMBL20171790 0.77 AR (0.63) ARCYP3A4PGRCES2ABCB11
SCHEMBL2011994 0.77 AR (0.82) ARCYP3A4PGRCES2ABCB11
SCHEMBL3048651 0.77 ALDH1A1 (0.59) ARCYP3A4PGRCES2ABCB11
SCHEMBL7524151 0.76 AR (0.81) ARCYP3A4PGRCES2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US claimed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US disclosed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US disclosed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US disclosed
EP-1685090-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2006-08-02 EP disclosed
WO-2005042464-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2005-05-12 WO 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-20080058383-A1 Androgen Receptor Modulators NR5A1, ESRRA, AR AR 3/4885CYP3A4 1601/4885PGR 44/4885

“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.