SCHEMBL4256970

SCHEMBL4256970

Cc1cccc(CCc2ccc3c(c2)NC(=O)CO3)c1C

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.60
PARP1 P09874 4/20 0.59
MMP12 P39900 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTR1A P08908 3/20 0.48
HTR1D P28221 3/20 0.48
HTR1B P28222 3/20 0.48
SLC6A4 P31645 3/20 0.48
ATM Q13315 1/20 0.48
DRD2 P14416 6/20 0.48
DRD4 P21917 5/20 0.48
DRD3 P35462 3/20 0.48
PKM P14618 2/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4258356 0.90 NR3C2 (0.62) NR3C2PARP1MMP12SMN1; SMN2HTR1A
SCHEMBL27731356 0.84 NR3C2 (0.58) NR3C2PARP1MMP12HTR1AHTR1D
SCHEMBL4264546 0.84 PARP1 (0.71) NR3C2PARP1MMP12HTR1AHTR1D
SCHEMBL11002313 0.83 PARP1 (0.77) NR3C2PARP1MMP12SMN1; SMN2HTR1A
SCHEMBL20614334 0.83 MMP12 (0.65) NR3C2PARP1MMP12SMN1; SMN2HTR1A
SCHEMBL4264604 0.82 PARP1 (0.68) NR3C2PARP1MMP12HTR1AHTR1D
SCHEMBL4261980 0.82 MMP12 (0.64) NR3C2PARP1MMP12HTR1AHTR1D
SCHEMBL4271023 0.81 MMP12 (0.70) NR3C2PARP1MMP12HTR1AHTR1D
SCHEMBL4261965 0.80 NR3C2 (0.61) NR3C2PARP1MMP12SMN1; SMN2HTR1A
SCHEMBL4263499 0.80 NR3C2 (0.61) NR3C2PARP1MMP12SMN1; SMN2HTR1A

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 7 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
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
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 7/4885PARP1 4095/4885MMP12 2999/4885

“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.