SCHEMBL6492876

SCHEMBL6492876

Cc1nc2ccc(C(=O)O)nc2n1Cc1ccc(N(CC2CCCCC2)C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 7/20 0.34
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC16A3 O15427 2/20 0.33
SLC16A1 P53985 2/20 0.33
MCTS1 Q9ULC4 2/20 0.33
ALOX5AP P20292 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
STAT3 P40763 1/20 0.31
STAT5B P51692 1/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
CHRM2 P08172 1/20 0.31

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
SCHEMBL6502592 0.93 CDK9 (0.33) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL6500801 0.87 ALDH1A1 (0.39) GLP1RMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6505568 0.86 TRPV1 (0.37) GLP1RCDK9DYRK1ADYRK2MAPT
SCHEMBL6503105 0.84 ALDH1A1 (0.38) GLP1RMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL6505036 0.81 CNR2 (0.32) MAPTALDH1A1SLC16A3SLC16A1MCTS1
SCHEMBL6502447 0.80 MAPT (0.38) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6501931 0.79 TRPV1 (0.37) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL6299020 0.79 KCNH2 (0.39) GLP1RCDK9DYRK1ADYRK2MAPT
SCHEMBL6300962 0.78 ALOX5AP (0.41) GLP1RCDK9DYRK1ADYRK2MAPT
SCHEMBL27556288 0.78 WDR5 (0.36) ALDH1A1SLC16A3SLC16A1MCTS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890934-B2 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-10 US disclosed
US-20030171396-A1 Sulfonamide compounds and uses thereof as medicines FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-11 US disclosed
US-6573274-B1 Treatment of the diseases curable based on a hypoglycemic action, and the diseases curable based on a cGMP-PDE inhibitory action, a smooth muscle relaxing action, a bronchodilating action, a vasodilating action, a smooth muscle FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-06-03 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-20030171396-A1 Sulfonamide compounds and uses thereof as medicines PDE2A, PDE3A, PDE5A GLP1R 62/4885CDK9 1879/4885DYRK1A 2629/4885

“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.