SCHEMBL1962604

SCHEMBL1962604

CCCS(=O)(=O)c1ccc(OBOc2ccc(S(=O)(=O)CCC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
MMP8 P22894 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
MMP1 P03956 4/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP14 P50281 2/20 0.43
MMP7 P09237 1/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL2349931 0.86 PSIP1 (0.50) MMP13ALDH1A1KMT2AHTTMMP8
SCHEMBL4195258 0.81 MMP13 (0.66) MMP13ALDH1A1KMT2AHTTMMP8
SCHEMBL7926322 0.77 CA12 (0.60) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL21649301 0.76 TP53 (0.56) MMP13ALDH1A1KMT2AHTTMMP8
SCHEMBL4041550 0.76 ALDH1A1 (0.59) ALDH1A1HTTLMNACYP2C9CYP2C19
SCHEMBL2652681 0.75 POLB (0.62) ALDH1A1KMT2AHTTMEN1LMNA
SCHEMBL17997015 0.75 MMP1 (0.55) MMP13ALDH1A1KMT2AHTTMMP8
SCHEMBL4020471 0.75 ALDH1A1 (0.59) MMP13ALDH1A1KMT2AHTTMEN1
SCHEMBL507649 0.74 ENPP2 (0.48)
SCHEMBL92881 0.74 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1LMNAGAA

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
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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 (1 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 MMP13 861/4885ALDH1A1 769/4885KMT2A 1524/4885

“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.