SCHEMBL2190405

SCHEMBL2190405

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.47
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
SIRT5 Q9NXA8 1/20 0.37
PDF Q9HBH1 1/20 0.36
TLR2 O60603 2/20 0.36
GPR84 Q9NQS5 4/20 0.35
PLA2G2C Q5R387 2/20 0.35
MMP2 P08253 6/20 0.34
MMP1 P03956 2/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL7707870 0.84 BMP1 (0.49) GNPATSIRT5MMP1
SCHEMBL9700817 0.82 GNPAT (0.41) GNPATCTSSCTSKMMP3
SCHEMBL29973263 0.81 GNPAT (0.65) GNPATSIRT6SIRT1SIRT5PDF
SCHEMBL4599095 0.78 SMN1; SMN2 (0.38) GNPAT
SCHEMBL3381661 0.78 SMN1; SMN2 (0.38) GNPAT
SCHEMBL31615759 0.77 GNPAT (0.59) GNPATSIRT6SIRT1CTSSCTSK
SCHEMBL31615037 0.77 GNPAT (0.59) GNPATSIRT6SIRT1CTSSCTSK
SCHEMBL31615880 0.77 GNPAT (0.59) GNPATSIRT6SIRT1CTSSCTSK
SCHEMBL19546728 0.76 SIRT6 (0.53) GNPATSIRT6SIRT1CTSSCTSK
SCHEMBL15539031 0.76 CTSS (0.49) SIRT6SIRT1CTSSCTSKMMP2

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-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 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 (2 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP GNPAT 2708/4885SIRT6 3067/4885SIRT1 3118/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS GNPAT 3214/4885SIRT6 3792/4885SIRT1 3361/4885

“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.