SCHEMBL4977904

SCHEMBL4977904

Cc1c(Oc2ccc(C#N)cc2)c(C(C)(C)C)nn1CS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.49
KDM4E B2RXH2 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
SCN9A Q15858 3/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TBXA2R P21731 1/20 0.32
LMNA P02545 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
SCHEMBL4609109 0.89 PGR (0.49) PGRKDM4ECA1CA2CA9
SCHEMBL4624052 0.82 PGR (0.49) PGRKDM4ECA1CA2CA9
SCHEMBL4609839 0.74 PGR (0.61) PGRKDM4ECA1CA2CA9
SCHEMBL4608270 0.71 PGR (0.62) PGRKDM4EFPR2PROKR1
SCHEMBL508893 0.70 KCNH2 (0.38) PGRLMNA
SCHEMBL509319 0.70 KCNH2 (0.38) PGR
SCHEMBL4608810 0.68 PGR (0.34) PGRKDM4ESCN9ALMNA
SCHEMBL4114649 0.66 PGR (0.50) PGRKDM4ELMNA
SCHEMBL4609190 0.65 PGR (0.53) PGRCA1CA2CA9CA12
SCHEMBL10250582 0.64 KCNH2 (0.31) PGR

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 8 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-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 155/4885KDM4E 1423/4885CA1 1956/4885
US-20080085919-A1 1H-Pyrazoles Useful In Therapy CBR3, GNRHR, RXFP3 PGR 87/4885KDM4E 2056/4885CA1 2358/4885

“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.