SCHEMBL8265772

SCHEMBL8265772

Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.73
PTGS1 P23219 9/20 0.73
CYP2C9 P11712 3/20 0.72
PDPK1 O15530 3/20 0.70
HDAC3 O15379 2/20 0.70
HDAC4 P56524 2/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC7 Q8WUI4 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
HDAC5 Q9UQL6 2/20 0.70
PTGES O14684 1/20 0.70
CA12 O43570 1/20 0.70
PDE5A O76074 1/20 0.70
ABCB11 O95342 1/20 0.70
MT-CO2 P00403 1/20 0.70

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
SCHEMBL4587051 1.00 PTGS2 (0.73) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL8266070 0.94 PTGS2 (0.80) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14533183 0.87 PTGS2 (0.70) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL30183125 0.87 PTGS2 (0.70) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL5420747 0.87 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL6263143 0.87 PTGS2 (0.70) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL14747609 0.87 PTGS2 (0.74) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL4588503 0.87 PTGS2 (0.86) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL30183003 0.87 PTGS2 (0.70) PTGS2PTGS1CYP2C9PDPK1HDAC3
SCHEMBL5344449 0.87 PTGS1 (0.80) PTGS2PTGS1CYP2C9PDPK1HDAC3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same ENGLEBIENNE & ASSOCIATES (BE) 2009-08-06 US disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-7521435-B2 Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same PHARMA DIAGNOSTICS, N.V. (BE) 2009-04-21 US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 US disclosed
US-7402603-B2 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2008-07-22 US disclosed
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor GARDELL STEPHEN J (US) 2003-02-20 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 (4 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885CYP2C9 1508/4885
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 PTGS2 6/4885PTGS1 13/4885CYP2C9 1508/4885
US-20030035795-A1 Methods for treating or reducing the risk of pain and inflammatory disorders by administering inhibitors of activated thrombin activatable fibrinolysis inhibitor BPGM, PLG, FGB PTGS2 372/4885PTGS1 206/4885CYP2C9 2339/4885
US-20090197833-A1 Silicon Containing Compounds Having Selective Cox-2 Inhibitory Activity and Methods of Making and Using the Same PTGS2, PTGES2, PTGS1 PTGS2 1/4885PTGS1 3/4885CYP2C9 692/4885

“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.