SCHEMBL2921533

SCHEMBL2921533

Cc1ccccc1S(=O)(=O)N1Cc2n[nH]c(NC(=O)C(C)C)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
HDAC1 Q13547 2/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CNR2 P34972 3/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.35
CNR1 P21554 1/20 0.35
AKR1C3 P42330 1/20 0.35
SCD O00767 1/20 0.34
DCTPP1 Q9H773 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2914982 0.90 CCNA2 (0.40) EPHX2HDAC1CTSGCMA1CNR2
SCHEMBL2918165 0.88 HDAC1 (0.41) EPHX2HDAC1GSK3AGSK3BCTSG
SCHEMBL2922952 0.85 MAPT (0.41) EPHX2HDAC1CNR2MAPK1POLB
SCHEMBL2918622 0.85 TP53 (0.42) HDAC1CTSGCMA1CNR2MAPK1
SCHEMBL2922167 0.85 KMT2A (0.45) HDAC1SCDDCTPP1MAPTL3MBTL1
SCHEMBL2919427 0.84 EPHX2 (0.48) EPHX2
SCHEMBL2924102 0.83 CNR1 (0.42) EPHX2CNR2MAPK1TSHRCNR1
SCHEMBL2924626 0.83 HDAC1 (0.36) EPHX2HDAC1CTSGCMA1CNR2
SCHEMBL2919389 0.82 HPGD (0.44) TSHRSCDDCTPP1MAPTLMNA
SCHEMBL2920436 0.82 CNR2 (0.41) HDAC1CNR2MAPK1POLBTSHR

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-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 US disclosed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 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 (3 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 EPHX2 2894/4885HDAC1 604/4885GSK3A 468/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 EPHX2 3311/4885HDAC1 373/4885GSK3A 747/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 EPHX2 2894/4885HDAC1 604/4885GSK3A 468/4885

“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.