SCHEMBL4654589

SCHEMBL4654589

CCc1nn(CS(C)(=O)=O)c(CC)c1Oc1cc(C)c(C#N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.41
KCNH2 Q12809 3/20 0.33
SLC22A12 Q96S37 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
SCN9A Q15858 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4104516 0.85 KCNH2 (0.36) KCNH2KDM4EKMT2AALDH1A1LMNA
SCHEMBL4959656 0.82 PTGDR2 (0.42) PGRKCNH2KDM4EALDH1A1LMNA
SCHEMBL4609839 0.82 PGR (0.61) PGRKCNH2KDM4ESCN9A
SCHEMBL4112540 0.82 PGR (0.38) PGRKCNH2KDM4EKMT2AMAPT
SCHEMBL4608810 0.81 PGR (0.34) PGRSLC22A12KDM4EKMT2AMAPT
SCHEMBL4099713 0.81 PGR (0.42) PGRKCNH2KDM4EKMT2AALDH1A1
SCHEMBL4102616 0.81 PGR (0.39) PGRKCNH2KDM4EKMT2AMAPT
SCHEMBL9997811 0.81 PGR (0.35) PGRKDM4EKMT2AMEN1
SCHEMBL4607901 0.80 KCNH2 (0.33) KCNH2MAPK1SMN1; SMN2
SCHEMBL4102883 0.80 PGR (0.44) PGRKCNH2SLC22A12KDM4EALDH1A1

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 10 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 claimed
US-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 US claimed
EP-1948615-A2 COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2008-07-30 EP claimed
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US claimed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US claimed
WO-2007054770-A2 PYRAZOLE DERIVATIVES AND THEIR MEDICAL USE PFIZER LIMITED (GB) 2007-05-18 WO claimed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 US claimed
EP-1948615-B1 Pyrazole derivatives useful for the treatment of gynaecological diseases PFIZER LTD (GB) 2011-12-14 EP disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US disclosed
US-20070105909-A1 Compounds useful in therapy PFIZER INC. 2007-05-10 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-20070105909-A1 Compounds useful in therapy GNRHR, OPRK1, CBR3 PGR 155/4885KCNH2 378/4885SLC22A12 4235/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 PGR 87/4885KCNH2 262/4885SLC22A12 4467/4885

“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.