SCHEMBL16283442

SCHEMBL16283442

CC(C)c1ccc2c(c1)S(=O)(=O)CC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
VEGFA P15692 1/20 0.37
RNASEH1 O60930 1/20 0.36
HPGD P15428 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.33
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
PDK2 Q15119 1/20 0.33
TYR P14679 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MDM4 O15151 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 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
SCHEMBL13084741 0.74 LMNA (0.48) LMNARNASEH1HPGDKDM4EBCL2
SCHEMBL1368095 0.73 S100A4 (0.42) VEGFABCL2MCL1CA1CA2
SCHEMBL10422386 0.73 CHEK1 (0.44) VEGFAHPGDHSD17B10KDM4EALDH1A1
SCHEMBL30601556 0.73 S100A4 (0.42) VEGFABCL2MCL1CA1CA2
SCHEMBL16283448 0.72 ALDH1A1 (0.43) VEGFAHPGDHSD17B10KDM4EALDH1A1
SCHEMBL1856486 0.69 HSD17B10 (0.53) LMNARNASEH1HPGDGFERHSD17B10
SCHEMBL21867275 0.69 CA12 (0.57) LMNAKDM4ECA1CA2CA5A
SCHEMBL21032467 0.69 TDP2 (0.41) VEGFACA1CA2
SCHEMBL30481781 0.69 TDP2 (0.41) VEGFACA1CA2
SCHEMBL5904274 0.69 PTPRC (0.47) LMNAHPGDHSD17B10KDM4EPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A LMNA 1417/4885VEGFA 2528/4885RNASEH1 1679/4885

“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.