SCHEMBL1709558

SCHEMBL1709558

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C)C(=O)c2ccccc2)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.62
LIMK2 P53671 8/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
LIMK1 P53667 1/20 0.36
GAA P10253 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CCR4 P51679 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL10121854 0.95 GHSR (0.59) GHSRLIMK2ABL1LCKLIMK1
SCHEMBL1709625 0.91 GHSR (0.61) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL1709563 0.90 GHSR (0.60) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL10122272 0.90 GHSR (0.60) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL1709661 0.90 GHSR (0.60) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL10122273 0.89 GHSR (0.59) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL1709699 0.89 GHSR (0.55) GHSRGAALMNA
SCHEMBL1709665 0.88 GHSR (0.58) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL10122185 0.88 GHSR (0.58) GHSRGAASCN1ASCN2ASCN3A
SCHEMBL10122274 0.88 GHSR (0.60) GHSRGAASCN1ASCN2ASCN3A

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 1/4885LIMK2 3878/4885ABL1 1702/4885

“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.