SCHEMBL16379396

SCHEMBL16379396

CC(=O)[C@@H](N)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
EPHX2 P34913 1/20 0.45
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
TLR2 O60603 2/20 0.43
CASP3 P42574 2/20 0.43
ANPEP P15144 1/20 0.42

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
SCHEMBL16379394 1.00 KMT2A (0.64) KMT2AEPHX2DPP8DPP7TLR2
SCHEMBL12972620 0.92 KMT2A (0.63) KMT2AEPHX2DPP8DPP7TLR2
SCHEMBL30887302 0.92 KMT2A (0.63) KMT2AEPHX2DPP8DPP7TLR2
SCHEMBL15160784 0.92 KMT2A (0.63) KMT2AEPHX2DPP8DPP7TLR2
SCHEMBL14682729 0.92 KMT2A (0.63) KMT2AEPHX2DPP8DPP7TLR2
Hydrochloric Acid SCHEMBL29398229 0.91 KMT2A (0.61) KMT2AEPHX2DPP8DPP7TLR2
SCHEMBL2089280 0.91 KMT2A (0.67) KMT2AEPHX2DPP8DPP7CASP3
SCHEMBL18924161 0.91 KMT2A (0.64) KMT2AEPHX2DPP8DPP7TLR2
SCHEMBL29401202 0.91 KMT2A (0.67) KMT2AEPHX2DPP8DPP7CASP3
SCHEMBL29398504 0.91 KMT2A (0.67) KMT2AEPHX2DPP8DPP7CASP3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284283-B2 Macrocyclic compounds for modulating IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2016-03-15 US disclosed
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 KMT2A 3399/4885EPHX2 1747/4885DPP8 3178/4885

“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.