SCHEMBL4609693

SCHEMBL4609693

Cc1cc(Oc2cn(CS(C)(=O)=O)nc2C2CC2)cc(C)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
TGFBR1 P36897 2/20 0.34
SLC22A12 Q96S37 2/20 0.34
SCN9A Q15858 1/20 0.33
EPAS1 Q99814 5/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
RAPGEF4 Q8WZA2 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
SCHEMBL4959644 0.83 EPHX2 (0.47) TGFBR1SLC22A12SCN9AKDM4EMEN1
SCHEMBL13871292 0.79 FFAR1 (0.34) TGFBR1SCN9AKDM4EMEN1ALDH1A1
SCHEMBL4609481 0.79 PGR (0.39) PGRSLC22A12KDM4EMEN1ALDH1A1
SCHEMBL4607471 0.78 PGR (0.43) PGRSLC22A12KDM4EMEN1ALDH1A1
SCHEMBL4621738 0.77 PGR (0.38) PGRSLC22A12SCN9AKDM4EMEN1
SCHEMBL4623287 0.77 PGR (0.39) PGRSLC22A12SCN9AEPAS1KDM4E
SCHEMBL4923554 0.77 TGFBR1 (0.36) TGFBR1
SCHEMBL4748819 0.76 PGR (0.37) PGRKDM4EMEN1ALDH1A1LMNA
SCHEMBL4105248 0.75 LRRK2 (0.39)
SCHEMBL4103253 0.74 SCN9A (0.37) SLC22A12SCN9AKDM4EMEN1ALDH1A1

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 17 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
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
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-7425569-B2 1H-pyrazoles useful in therapy PFIZER INC (US) 2008-09-16 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
US-20080085919-A1 1H-Pyrazoles Useful In Therapy BRADLEY PAUL A 2008-04-10 US disclosed
US-7309712-B2 1H-pyrazoles useful in therapy PFIZER LIMITED (GB) 2007-12-18 US 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
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
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 155/4885TGFBR1 3813/4885SLC22A12 4235/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 PGR 87/4885TGFBR1 3569/4885SLC22A12 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.