SCHEMBL10072496

SCHEMBL10072496

CCC(C)(C)NCC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.39
DPP4 P27487 1/20 0.38
EPHX1 P07099 1/20 0.33
HPGD P15428 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL15445132 0.84 DPP4 (0.37) DPP4EPHX1HPGDKDM4EL3MBTL1
SCHEMBL162904 0.80 DPP4 (0.40) DPP4EPHX1HPGDKDM4EL3MBTL1
SCHEMBL15747025 0.79 ALDH1A1 (0.37) DPP4EPHX1
SCHEMBL4547564 0.77 DPP4 (0.37) VDRDPP4CA12CA1CA2
SCHEMBL22384807 0.74 VDR (0.34) VDR
SCHEMBL17125010 0.74 TET2 (0.45) DPP4EPHX1KDM4EBCHECA12
SCHEMBL23815728 0.74 EPHX1 (0.37) EPHX1BCHE
SCHEMBL15445133 0.71 VDR (0.33) VDR
SCHEMBL19942304 0.71 ALDH1A1 (0.44) DPP4EPHX1HPGD
SCHEMBL10774381 0.71 VDR (0.36) VDRCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295259-A1 Conjugated Hepcidin Mimetics PROTAGONIST THERAPEUTICS, INC. 2023-09-21 US disclosed
EP-2900678-B1 MULTIMERIC MANNOSIDES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG CENTRE NAT RECH SCIENT (FR) 2020-09-02 EP disclosed
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY NOVARTIS AG (CH) 2017-08-03 US disclosed
US-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-19 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-20120015883-A1 Peptoid and synthetic oligomers, pharmaceutical compositions and methods of using same APP, IAPP, PSEN1 VDR 3144/4885DPP4 1327/4885EPHX1 3714/4885
US-20230295259-A1 Conjugated Hepcidin Mimetics HAMP, VIP, HDGF VDR 831/4885DPP4 841/4885EPHX1 2065/4885
US-20170218085-A1 SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY PTMS, DNPEP, PSAT1 VDR 3522/4885DPP4 620/4885EPHX1 596/4885

“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.