SCHEMBL16384285

SCHEMBL16384285

CN[C@@H](CCCCNC(=O)[C@H](C)CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.46
▸ FOLH1 Q04609 3/20 0.40
▸ MMP8 P22894 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KISS1R Q969F8 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CAPN1 P07384 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ CPB2 Q96IY4 2/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TLR2 O60603 1/20 0.36

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
SCHEMBL16384385 0.86 FOLH1 (0.41) CACNA1BFOLH1ALDH1A1NOD1FNTA
SCHEMBL16384377 0.84 CYP2D6 (0.45) CACNA1BFOLH1ALDH1A1NOD1FNTA
SCHEMBL25357890 0.83 FOLH1 (0.43) CACNA1BFOLH1ALDH1A1NOD1FNTA
SCHEMBL25360859 0.83 FOLH1 (0.43) CACNA1BFOLH1ALDH1A1NOD1FNTA
SCHEMBL25357888 0.83 FOLH1 (0.43) CACNA1BFOLH1ALDH1A1NOD1FNTA
SCHEMBL16384474 0.81 FOLH1 (0.41) CACNA1BFOLH1NOD1FNTAFNTB
SCHEMBL19992546 0.80 DPP7 (0.49) NOD1
SCHEMBL23408829 0.80 NOD1 (0.41) FOLH1MMP8CAPN1NOD1FNTA
SCHEMBL15302107 0.79 FOLH1 (0.47) FOLH1NOD1FNTAFNTB
SCHEMBL24259717 0.78 KMT2A (0.50) CACNA1BFOLH1ALDH1A1NOD1MEN1

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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 — — 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 CACNA1B 4384/4885FOLH1 3122/4885MMP8 537/4885

“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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