SCHEMBL321380

SCHEMBL321380

COC[C@@H](C)OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
PTGS2 P35354 2/20 0.40
KIF11 P52732 1/20 0.39
MMP3 P08254 2/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MMP1 P03956 3/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL321381 1.00 CA1 (0.46) CA1CA2PTGS2KIF11MMP3
SCHEMBL14780286 0.86 CA1 (0.49) CA1CA2PTGS2KIF11MMP3
SCHEMBL13160698 0.85 BMP1 (0.34) CA1CA2CDK1CDK2KDR
SCHEMBL14778157 0.82 CA1 (0.50) CA1CA2PTGS2KIF11MMP3
SCHEMBL6118689 0.81 ALDH1A1 (0.43) CA1CA2KMT2AMEN1GAA
SCHEMBL320440 0.81 ALDH1A1 (0.43) CA1CA2KMT2AMEN1GAA
SCHEMBL30001425 0.81 ALDH1A1 (0.43) CA1CA2KMT2AMEN1GAA
SCHEMBL320439 0.81 ALDH1A1 (0.43) CA1CA2KMT2AMEN1GAA
SCHEMBL24980129 0.80 CA1 (0.49) CA1CA2PTGS2KIF11MMP3
SCHEMBL16263306 0.80 CDK1 (0.32) CA1CA2CDK1CDK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007758-A2 PHARMACEUTICAL FORMULATIONS ASTRAZENECA AB (SE) 2012-01-19 WO disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093252-B2 Crystalline polymorphic form of glucokinase activator ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8076481-B2 Chemical process 632 ASTRAZENECA AB (SE) 2011-12-13 US disclosed
US-8076481-B2 Chemical process 632 ASTRAZENECA AB (SE) 2011-12-13 US disclosed
US-8076481-B2 Chemical process 632 ASTRAZENECA AB (SE) 2011-12-13 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210841-A1 CHEMICAL PROCESS 632 ASTRAZENECA AB (SE) 2010-08-19 US disclosed
WO-2010092386-A1 CRYSTALLINE POLYMORPHIC FORM 631 ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
WO-2010092387-A1 PROCESS FOR PREPARATION OF BEZOYL AMINO HETEROCYCLYL COMPOUNDS ASTRAZENECA AB (SE) 2010-08-19 WO 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-20100210841-A1 CHEMICAL PROCESS 632 F12, XDH, REN CA1 1078/4885CA2 261/4885PTGS2 2084/4885
US-20100210621-A1 CRYSTALLINE POLYMORPHIC FORM 631 GCKR, GCK, HK1 CA1 3405/4885CA2 1617/4885PTGS2 4303/4885

“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.