SCHEMBL9891659

SCHEMBL9891659

CC(C)C(=O)/C(=C/C1CCCC1)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
GCK P35557 1/20 0.45
AKR1C3 P42330 7/20 0.43
PTGS2 P35354 5/20 0.41
AKR1C2 P52895 3/20 0.39
AKR1C1 Q04828 3/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL2669023 0.86 KMT2A (0.51) KMT2AGCKAKR1C3PTGS2AKR1C2
SCHEMBL2646494 0.85 AKR1C3 (0.57) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646492 0.85 AKR1C3 (0.57) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646211 0.83 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2645359 0.83 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2645355 0.83 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646214 0.83 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646019 0.83 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2646015 0.83 AKR1C3 (0.56) KMT2AAKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL1107285 0.80 GCK (0.49) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KMT2A 2344/4885GCK 2/4885AKR1C3 1240/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 KMT2A 2260/4885GCK 2/4885AKR1C3 1291/4885

“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.