SCHEMBL1709598

SCHEMBL1709598

CCN(CC)CCCS(=O)(=O)N[C@H](CCc1ccccc1)c1nc(CC2COc3ccccc3O2)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
LMNA P02545 2/20 0.33
CA2 P00918 1/20 0.33
ALOX5 P09917 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
SCHEMBL1709621 0.88 GHSR (0.56) GHSR
SCHEMBL10122113 0.87 GHSR (0.56) GHSRMEN1KMT2A
SCHEMBL1709618 0.86 GHSR (0.58) GHSRSMN1; SMN2
SCHEMBL1709615 0.83 GHSR (0.61) GHSRALDH1A1HPGDLMNA
SCHEMBL1709708 0.81 GHSR (0.67) GHSRALDH1A1MEN1KMT2ALMNA
SCHEMBL10121926 0.81 GHSR (0.67) GHSRALDH1A1MEN1KMT2A
SCHEMBL1995494 0.81 GHSR (0.57) GHSRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10121964 0.80 GHSR (0.69) GHSRALDH1A1HPGDMEN1KMT2A
SCHEMBL1709634 0.80 GHSR (0.56) GHSR
SCHEMBL1709649 0.80 GHSR (0.68) GHSRALDH1A1HPGDMEN1KMT2A

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 1/4885SMN1; SMN2 490/4885ALDH1A1 3182/4885

“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.