SCHEMBL4607965

SCHEMBL4607965

Cc1cc(Oc2c(C3CC3)nn(CS(C)(=O)=O)c2C)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.42
SLC22A12 Q96S37 2/20 0.35
HCRTR2 O43614 1/20 0.33
AR P10275 4/20 0.33
SCN9A Q15858 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
KDR P35968 1/20 0.32
ESRRA P11474 1/20 0.32

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
SCHEMBL4609500 0.91 PGR (0.46) PGRSLC22A12HCRTR2ARSCN9A
SCHEMBL4752244 0.89 PGR (0.39) PGRSLC22A12HCRTR2ARSCN9A
SCHEMBL4609481 0.87 PGR (0.39) PGRSLC22A12
SCHEMBL4748844 0.86 PGR (0.38) PGRHCRTR2MRGPRX4
SCHEMBL4748816 0.85 PGR (0.36) PGRSLC22A12HCRTR2ARHRH3
SCHEMBL4976120 0.84 PGR (0.46) PGRSLC22A12HCRTR2ARSCN9A
SCHEMBL4884834 0.84 PGR (0.36) PGRSLC22A12HCRTR2HRH3MRGPRX4
SCHEMBL4962986 0.83 ATM (0.41) PGRARMRGPRX4
SCHEMBL21010535 0.83 PGR (0.34) PGR
SCHEMBL4109845 0.82 PGR (0.44) PGRHCRTR2ARMRGPRX4

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 155/4885SLC22A12 4235/4885HCRTR2 112/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 PGR 87/4885SLC22A12 4467/4885HCRTR2 280/4885

“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.