SCHEMBL1709644

SCHEMBL1709644

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(-c2cn(CC(=O)OC)c3ccccc23)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.62
CA12 O43570 6/20 0.37
CA1 P00915 6/20 0.37
CA9 Q16790 6/20 0.37
CA2 P00918 5/20 0.37
GAA P10253 1/20 0.35
POLB P06746 1/20 0.34
PRKCA P17252 3/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10122112 0.91 GHSR (0.64) GHSRCA12CA1CA9CA2
SCHEMBL1709680 0.89 GHSR (0.61) GHSRCA12CA1CA9CA2
SCHEMBL1709541 0.87 GHSR (0.61) GHSRGAAPOLBPRKCAHDAC3
SCHEMBL10121677 0.84 GHSR (0.71) GHSRCA12CA1CA9CA2
SCHEMBL10121929 0.84 GHSR (0.70) GHSRCA12CA1CA9CA2
SCHEMBL10122110 0.82 GHSR (0.71) GHSRPOLBALDH1A1MEN1KMT2A
SCHEMBL10121669 0.79 GHSR (0.61) GHSRALDH1A1KMT2A
SCHEMBL1988787 0.79 GHSR (0.67) GHSRMEN1KMT2A
SCHEMBL1986948 0.79 GHSR (0.71) GHSRGAAPOLBHDAC3HDAC4
SCHEMBL1709599 0.77 GHSR (0.56) GHSRCA12CA1CA9PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF ELIXIR PHARMACEUTICALS, INC. 2012-04-12 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-20120088747-A1 SULFONAMIDE CONTAINING COMPOUNDS AND USES THEREOF GHSR, GHRHR, STS GHSR 1/4885CA12 613/4885CA1 1399/4885

“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.