Sugi Predict

Sugi Predict / Compounds / SCHEMBL3866166

SCHEMBL3866166

SCHEMBL3866166

Cc1ccc(-n2nc(C(=O)CCCO[Si](C)(C)C(C)(C)C)cc2-c2cc(C)cs2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PPP1CA P62136 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA9 Q16790 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ RPA1 P27694 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ HDAC3 O15379 4/20 0.33

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
SCHEMBL3876646 0.94 CHRNA7 (0.38) PTGS2PTGS1PPP1CACA9MEN1
SCHEMBL3871118 0.94 SMPD1 (0.39) PTGS2PTGS1PPP1CASMN1; SMN2CA9
SCHEMBL3864475 0.94 CHRNA7 (0.41) PTGS2PTGS1PPP1CASMN1; SMN2SMPD1
SCHEMBL5150756 0.94 PTGS2 (0.41) PTGS2PTGS1MEN1KMT2ARPA1
SCHEMBL3865601 0.93 PTGS2 (0.47) PTGS2PTGS1CA9RPA1CA1
SCHEMBL3865539 0.92 CHRNA7 (0.41) PTGS2PTGS1SMN1; SMN2CA9CA1
SCHEMBL3866161 0.81 PTGS2 (0.45) PTGS2PTGS1PPP1CASMN1; SMN2CA9
SCHEMBL3867347 0.79 FABP3 (0.34) FABP4HDAC3HDAC1HDAC2
SCHEMBL5151112 0.76 APLNR (0.32) FABP4HDAC3HDAC1HDAC2
SCHEMBL3866697 0.74 SMN1; SMN2 (0.46) PTGS2PPP1CASMN1; SMN2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005350-A1 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-01-01 — — US disclosed
US-7442802-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2008-10-28 — — US disclosed
US-20060194861-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2006-08-31 — — US disclosed
US-7087630-B2 Cyclooxygenase 2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2006-08-08 — — US disclosed
US-20040053985-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-03-18 — — 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-20040053985-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 PTGS2 1/4885PTGS1 4/4885PPP1CA 3630/4885
US-20060194861-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 PTGS2 1/4885PTGS1 4/4885PPP1CA 3630/4885
US-20090005350-A1 CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTGS2, PTGIS, PTGES2 PTGS2 1/4885PTGS1 4/4885PPP1CA 3630/4885

“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.