SCHEMBL4398036

SCHEMBL4398036

NCC(=O)OC(=O)[C@H]1NCCC1OC(=O)CN.O=C(OC1CCN[C@@H]1C(=O)O)[C@@H]1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ARG1 P05089 2/20 0.33
SLC1A2 P43004 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
Glycine SCHEMBL1675339 0.87 MEN1 (0.41) MEN1BLMKMT2AARG1SLC1A2
Proline SCHEMBL6690171 0.85 MEN1 (0.32) MEN1BLMKMT2AARG1
SCHEMBL1491950 0.84 MEN1 (0.47) MEN1BLMKMT2AARG1SLC1A2
Threonine SCHEMBL6689276 0.81
SCHEMBL1537353 0.81 SLC1A2 (0.44) MEN1BLMKMT2AARG1SLC1A2
SCHEMBL6515403 0.80 MEN1 (0.42) MEN1BLMKMT2AARG1SLC1A2
SCHEMBL1508068 0.80 MEN1 (0.39) MEN1BLMKMT2AARG1SLC1A2
SCHEMBL302682 0.77 NOS2 (0.41)
Serine SCHEMBL5144903 0.77 MEN1 (0.36) MEN1BLMKMT2AARG1SLC1A2
SCHEMBL4406677 0.74 NOS2 (0.31) MEN1KMT2AARG1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240041792-A1 TOPICAL COMPOSITIONS AND USES THEREOF TRUETIVA, Inc. (US) 2024-02-08 US disclosed
US-20230240992-A9 COMPOSITIONS AND METHODS FOR TOPICAL DELIVERY RELIEVE THERAPEUTICS PTE. LTD. (SG) 2023-08-03 US disclosed
US-20220160689-A1 COMPOSITIONS AND METHODS FOR PAIN RELIEF AND NUMBING Ziropa, Inc. (US) 2022-05-26 US disclosed
EP-3694489-A2 METHODS AND COMPOSITIONS FOR TOPICAL DELIVERY Illustris Pharmaceuticals, Inc. (US) 2020-08-19 EP disclosed
WO-2019075263-A2 METHODS AND COMPOSITIONS FOR TOPICAL DELIVERY ILLUSTRIS PHARMACEUTICALS, INC. (US) 2019-04-18 WO disclosed
US-20190105261-A1 METHODS AND COMPOSITIONS FOR TOPICAL DELIVERY ILLUSTRIS PHARMACEUTICALS, INC. 2019-04-11 US disclosed
US-7560430-B2 To stimulate the endogenous production of Elastin or appear to enhance the elasticity of the skin HUMAN MATRIX SCIENCES, LLC (US) 2009-07-14 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 (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-20240041792-A1 TOPICAL COMPOSITIONS AND USES THEREOF COL14A1, COL2A1, COL1A1 MEN1 4456/4885BLM 4662/4885KMT2A 4199/4885

“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.