SCHEMBL19686140

SCHEMBL19686140

CC[C@H](NC(=O)CN)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.35
ECE1 P42892 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CTSC P53634 3/20 0.33
LMNA P02545 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
ACACB O00763 1/20 0.32
DNM1 Q05193 1/20 0.32
TLR2 O60603 1/20 0.31
CAD P27708 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TERT O14746 1/20 0.31

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
SCHEMBL26838356 1.00 NOD1 (0.35) NOD1ECE1CA1CA2CTSC
SCHEMBL18495355 0.87 CTSC (0.33) CTSCLMNAACACBDNM1L3MBTL1
SCHEMBL16000524 0.85 QRFPR (0.38) NOD1SLC6A5TLR2TERT
SCHEMBL31256913 0.84 CYP2C9 (0.45) NOD1ECE1CA1CA2LMNA
SCHEMBL1133639 0.83 POLB (0.40) NOD1CA2CTSCSLC6A5
SCHEMBL8468722 0.83 POLB (0.40) NOD1CA2CTSCSLC6A5
SCHEMBL22593486 0.81 NOD1 (0.34) NOD1ECE1CA1CA2ACACB
SCHEMBL6511103 0.80 TGFBR1 (0.42) ECE1CA1CA2CTSCTLR2
SCHEMBL18569190 0.80 TGFBR1 (0.42) ECE1CA1CA2CTSCTLR2
SCHEMBL5307346 0.79 CAD (0.46) NOD1ECE1CA1CA2CAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369728-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2020-11-26 US disclosed
US-20190269753-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF AILERON THERAPEUTICS, INC. 2019-09-05 US disclosed
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2017-12-07 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 (3 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-20190269753-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF TP53, TP53BP1, MDM2 NOD1 742/4885ECE1 2999/4885CA1 1059/4885
US-20170349638-A1 COMPANION DIAGNOSTIC TOOL FOR PEPTIDOMIMETIC MACROCYCLES TP53, TP53BP1, VHL NOD1 447/4885ECE1 2345/4885CA1 2610/4885
US-20200369728-A1 PEPTIDOMIMETIC MACROCYCLES AND USES THEREOF NGLY1, BID, DNPEP NOD1 710/4885ECE1 877/4885CA1 3273/4885

“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.