SCHEMBL10121978

SCHEMBL10121978

CCC(C)NC(=O)N(C)Cc1n[nH]c([C@@H](CCc2ccccc2)NS(=O)(=O)CCCN(CC)CC)n1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.58
▸ CCR4 P51679 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ SCN1A P35498 1/20 0.33
▸ SCN2A Q99250 1/20 0.33
▸ SCN3A Q9NY46 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 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
SCHEMBL1709563 0.94 GHSR (0.60) GHSRCCR4GAASCN1ASCN2A
SCHEMBL10122271 0.93 GHSR (0.57) GHSRCCR4SMN1; SMN2EPHX2GAA
SCHEMBL10121989 0.90 GHSR (0.57) GHSRCCR4GAASCN1ASCN2A
SCHEMBL10122273 0.89 GHSR (0.59) GHSRCCR4GAASCN1ASCN2A
SCHEMBL1709625 0.89 GHSR (0.61) GHSRCCR4GAASCN1ASCN2A
SCHEMBL10122272 0.88 GHSR (0.60) GHSRCCR4GAASCN1ASCN2A
SCHEMBL1709558 0.88 GHSR (0.62) GHSRCCR4GAASCN1ASCN2A
SCHEMBL10122274 0.88 GHSR (0.60) GHSRCCR4GAASCN1ASCN2A
SCHEMBL1709655 0.88 GHSR (0.60) GHSRCCR4SMN1; SMN2EPHX2GAA
SCHEMBL1709702 0.87 GHSR (0.59) GHSRCCR4GAASCN1ASCN2A

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 1/4885CCR4 3489/4885SMN1; SMN2 490/4885

“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.

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