SCHEMBL16384723

SCHEMBL16384723

[N-]=[N+]=NCCOCCOCCOCCNC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TPSAB1 Q15661 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MME P08473 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ SIRT2 Q8IXJ6 3/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ CAPN2 P17655 1/20 0.40

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
SCHEMBL16384724 0.94 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1LMNAMMEECE1
SCHEMBL19706959 0.90 SMN1; SMN2 (0.51) SMN1; SMN2TPSAB1MMEECE1SIRT2
SCHEMBL21422716 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TPSAB1LMNAMMEECE1
SCHEMBL16385192 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TPSAB1LMNAMMEECE1
SCHEMBL17804042 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TPSAB1LMNAMMEECE1
SCHEMBL21422694 0.81 SMN1; SMN2 (0.59) SMN1; SMN2TPSAB1LMNAMMEECE1
SCHEMBL16384896 0.81 SMN1; SMN2 (0.59) SMN1; SMN2TPSAB1LMNAMMEECE1
SCHEMBL29437120 0.80 SMN1; SMN2 (0.54) SMN1; SMN2TPSAB1MMEECE1SIRT2
SCHEMBL10739937 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MMEECE1CTSLCTSS
SCHEMBL10746514 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MMEECE1CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975120-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2021-04-13 — — US disclosed
EP-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 — — EP disclosed
US-20190300570-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-10-03 — — US disclosed
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG 2016-08-18 — — US disclosed
US-9359400-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2016-06-07 — — US disclosed
WO-2015006728-A2 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USERA AIMEE (US) 2015-01-15 — — WO 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-20190300570-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 SMN1; SMN2 4867/4885TPSAB1 539/4885LMNA 4444/4885
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 SMN1; SMN2 4867/4885TPSAB1 539/4885LMNA 4444/4885
US-10975120-B2 Site-specific chemoenzymatic protein modifications PTMS, TGM3, TGM1 SMN1; SMN2 4867/4885TPSAB1 539/4885LMNA 4444/4885

“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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