SCHEMBL4263496

SCHEMBL4263496

Cc1cccc(C=Cc2ccc3c(c2)NC(=O)CO3)c1C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.61
MMP12 P39900 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 5/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TRPV1 Q8NER1 2/20 0.48
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13932085 1.00 NR3C2 (0.61) NR3C2MMP12SMN1; SMN2PKMMEN1
SCHEMBL13932042 0.90 NR3C2 (0.63) NR3C2MMP12SMN1; SMN2PKMPARP1
SCHEMBL4266691 0.90 NR3C2 (0.63) NR3C2MMP12SMN1; SMN2PKMPARP1
SCHEMBL13932083 0.84 MMP12 (0.65) NR3C2MMP12SMN1; SMN2PKMKMT2A
SCHEMBL4272473 0.84 MMP12 (0.65) NR3C2MMP12SMN1; SMN2PKMKMT2A
SCHEMBL13932049 0.83 MMP12 (0.64) NR3C2MMP12SMN1; SMN2PKMMEN1
SCHEMBL4269356 0.83 MMP12 (0.64) NR3C2MMP12SMN1; SMN2PKMMEN1
SCHEMBL4264554 0.82 NR3C2 (0.60) NR3C2MMP12SMN1; SMN2PKMMEN1
SCHEMBL13932068 0.82 NR3C2 (0.60) NR3C2MMP12SMN1; SMN2PKMMEN1
SCHEMBL27731422 0.81 NR3C2 (0.65) NR3C2MMP12SMN1; SMN2PKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 NR3C2 7/4885MMP12 2999/4885SMN1; SMN2 4786/4885

“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.