SCHEMBL17930107

SCHEMBL17930107

N=C(N)NCCCC(NC(=O)CN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.47
NMT1 P30419 5/20 0.43
NMT2 O60551 4/20 0.43
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
TLR2 O60603 1/20 0.40
FOLH1 Q04609 1/20 0.40
ROCK2 O75116 1/20 0.39
NPY4R P50391 5/20 0.39
NPY1R P25929 4/20 0.39
NPY2R P49146 4/20 0.39
NPY5R Q15761 4/20 0.39
QRFPR Q96P65 1/20 0.39

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
SCHEMBL31593243 0.98 SLC15A2 (0.43) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL29435094 0.94 SLC15A2 (0.45) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL29461533 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL30372694 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL5598713 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL30713830 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL31717990 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL31106970 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL30373028 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1
SCHEMBL5598706 0.94 SLC15A2 (0.51) SLC15A2NMT1NMT2SIRT6SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10835609-B2 Hydrogels for delivery of therapeutic compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-11-17 US disclosed
US-9937256-B2 Hydrogels for delivery of therapeutic compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-04-10 US disclosed
US-9937256-B2 Hydrogels for delivery of therapeutic compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-04-10 US disclosed
US-20160206741-A1 HYDROGELS FOR DELIVERY OF THERAPEUTIC COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-07-21 US disclosed
US-20160206741-A1 HYDROGELS FOR DELIVERY OF THERAPEUTIC COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2016-07-21 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-10835609-B2 Hydrogels for delivery of therapeutic compounds SI, VIP, DNPEP SLC15A2 2775/4885NMT1 604/4885NMT2 834/4885
US-20160206741-A1 HYDROGELS FOR DELIVERY OF THERAPEUTIC COMPOUNDS SI, VIP, DNPEP SLC15A2 2775/4885NMT1 604/4885NMT2 834/4885

“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.