SCHEMBL8103315

SCHEMBL8103315

CCC(C)[C@H](NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H](N)CCCCNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 17/20 0.49
▸ NTSR2 O95665 16/20 0.49
▸ SORT1 Q99523 16/20 0.49
▸ CMA1 P23946 1/20 0.47
▸ AGTR1 P30556 1/20 0.44
▸ AGTR2 P50052 1/20 0.44

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
SCHEMBL8260638 0.91 NTSR2 (0.46) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL5282037 0.88 CMA1 (0.57) CMA1
SCHEMBL5282032 0.88 CMA1 (0.57) CMA1
SCHEMBL5466307 0.84 OPRK1 (0.41) NTSR1NTSR2SORT1
SCHEMBL5275743 0.82 DPP4 (0.51) NTSR1NTSR2SORT1CMA1
SCHEMBL5275753 0.82 DPP4 (0.51) NTSR1NTSR2SORT1CMA1
SCHEMBL29812856 0.79 AGTR2 (0.46) NTSR1NTSR2SORT1CMA1AGTR1
SCHEMBL8366878 0.75 NTSR1 (0.48) NTSR1NTSR2SORT1AGTR1AGTR2
SCHEMBL31007073 0.75 CTSD (0.52) —
SCHEMBL8112052 0.75 CMA1 (0.47) NTSR1NTSR2SORT1CMA1

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 — — 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 NTSR1 2668/4885NTSR2 2591/4885SORT1 3161/4885

“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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