SCHEMBL4108609

SCHEMBL4108609

N#Cc1ccc(OC(C(=O)C2CC2)C(=O)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.44
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
IL18 Q14116 1/20 0.41
ACACB O00763 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL509178 0.84 MGLL (0.34) UBE2NRAB9ANPC1
SCHEMBL4104288 0.76 MAPT (0.51) PARP15PARP10PARP2GAASMN1; SMN2
SCHEMBL5156175 0.76 MGLL (0.34) UBE2NRAB9AMAPTALDH1A1NPC1
SCHEMBL10251057 0.75 MGLL (0.30)
SCHEMBL28237429 0.75 KMT2A (0.61) UBE2NPARP15PARP10PARP2SMN1; SMN2
SCHEMBL4733988 0.74 KDM4E (0.40) GAASMN1; SMN2RAB9AMAPTPOLB
SCHEMBL9666479 0.72 ITK (0.43) GAARAB9AMAPTKDM4EACACB
SCHEMBL508962 0.72 MGLL (0.43) UBE2NRAB9ANPC1
SCHEMBL23833570 0.71 TSHR (0.39) UBE2NGAARAB9AMAPTKDM4E
SCHEMBL4108959 0.71 MGLL (0.45) PARP15PARP10PARP2GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 EP disclosed
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
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
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US disclosed
EP-1948615-A2 COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2008-07-30 EP disclosed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US 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 (4 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 UBE2N 1057/4885PARP15 1624/4885PARP10 421/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 UBE2N 1835/4885PARP15 906/4885PARP10 579/4885
US-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 UBE2N 1874/4885PARP15 1548/4885PARP10 788/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 UBE2N 1978/4885PARP15 2124/4885PARP10 934/4885

“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.