SCHEMBL1709580

SCHEMBL1709580

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CN(C)C(=O)NC2CCCCC2)n(CC)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 6/20 0.43
CCR5 P51681 1/20 0.35
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
AGTR2 P50052 1/20 0.33
EPHX1 P07099 2/20 0.33
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 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
SCHEMBL1709732 0.93 GHSR (0.43) GHSRCCR5EPHX2ALDH1A1KDM4E
SCHEMBL1709728 0.89 GHSR (0.43) GHSRCCR5EPHX2KMT2ACNR2
SCHEMBL10121974 0.88 GHSR (0.46) GHSRALDH1A1LMNATSHR
SCHEMBL1709711 0.87 GHSR (0.44) GHSRALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL10121722 0.86 GHSR (0.46) GHSRKDM4EMEN1KMT2ALMNA
SCHEMBL10121985 0.86 GHSR (0.43) GHSRCCR5ALDH1A1MEN1KMT2A
SCHEMBL10122098 0.84 GHSR (0.43) GHSRCCR5EPHX2ALDH1A1KDM4E
SCHEMBL10121783 0.84 GHSR (0.45) GHSREPHX2ALDH1A1KMT2ALMNA
SCHEMBL1709569 0.83 GHSR (0.48) GHSRKDM4EMEN1KMT2ALMNA
SCHEMBL1709691 0.83 GHSR (0.44) GHSRCCR5EPHX2MEN1KMT2A

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 1/4885CCR5 4058/4885EPHX2 2718/4885

“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.