SCHEMBL4097873

SCHEMBL4097873

CCc1nn(C(C)(C)C(=O)O)c(CC)c1Oc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.50
KDM4E B2RXH2 2/20 0.38
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA4 P48058 1/20 0.36
SCN9A Q15858 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IL18 Q14116 1/20 0.36
PPARA Q07869 3/20 0.35
PPARD Q03181 2/20 0.35
ALDH1A1 P00352 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
SCHEMBL4109189 0.89 PGR (0.47) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4110175 0.88 PGR (0.47) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4109945 0.88 PGR (0.52) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4118214 0.81 PGR (0.52) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4115188 0.79 PGR (0.47) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4958515 0.78 PGR (0.49) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4115324 0.78 PGR (0.49) PGRKDM4E
SCHEMBL4105490 0.78 PGR (0.52) PGRKDM4E
SCHEMBL4105683 0.78 PGR (0.65) PGRKDM4EPARP15PARP10PARP2
SCHEMBL4114826 0.77 PGR (0.62) PGRKDM4EPARP15PARP10PARP2

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-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885KDM4E 3328/4885PARP15 1548/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885KDM4E 3493/4885PARP15 2124/4885

“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.