SCHEMBL3458098

SCHEMBL3458098

CN[C@@H](C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MMP3 P08254 7/20 0.32
MMP2 P08253 6/20 0.32
MMP1 P03956 5/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 2/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL88565 1.00 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL3458099 1.00 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5
Hydrochloric Acid SCHEMBL76316 0.97 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5
Hydrochloric Acid SCHEMBL17392837 0.97 CA2 (0.36) CA2ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL2089233 0.81 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TP53TSHR
SCHEMBL2089231 0.81 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1TP53TSHR
SCHEMBL162227 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL18095144 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL18095145 0.79 ALDH1A1 (0.46) ALDH1A1MAPTPTGS1
SCHEMBL28479550 0.78 CA2 (0.37) CA2ALDH1A1MAPTPTGS1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001910-A1 PEPTIDES AND USES THEREOF PREVECEUTICAL MEDICAL INC (CA) 2026-01-01 US disclosed
US-20240301023-A1 PEPTIDES AND USES THEREOF PreveCeutical Medical Inc. (CA) 2024-09-12 US disclosed
US-20240059740-A1 CYCLIC PEPTIDES AND USES THEREOF PreveCeutical Medical Inc. (CA) 2024-02-22 US disclosed
EP-4175970-A1 PEPTIDES AND USES THEREOF Preveceutical Medical Inc. (CA) 2023-05-10 EP disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11566001-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 US disclosed
WO-2011107843-A2 PROCESS FOR THE PREPARATION OF ATAZANAVIR SULFATE SUBSTANTIALLY FREE OF DIASTEREOMERS LUPIN LIMITED (IN) 2011-09-09 WO disclosed
EP-2262538-A1 OLIGOMER-AMINO ACID AND OLGOMER-ATAZANAVIR CONJUGATES Nektar Therapeutics (US) 2010-12-22 EP disclosed
WO-2009114151-A1 OLIGOMER-AMINO ACID AND OLGOMER-ATAZANAVIR CONJUGATES NEKTAR THERAPEUTICS (US) 2009-09-17 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 (6 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-20240301023-A1 PEPTIDES AND USES THEREOF OPRL1, OPRK1, OPRM1 CA2 4611/4885ALDH1A1 4191/4885MAPT 745/4885
US-20240059740-A1 CYCLIC PEPTIDES AND USES THEREOF VIP, NGLY1, LNPEP CA2 1375/4885ALDH1A1 4833/4885MAPT 2310/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP CA2 4777/4885ALDH1A1 3850/4885MAPT 1087/4885
US-11566001-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP CA2 4777/4885ALDH1A1 3850/4885MAPT 1087/4885
US-20260001910-A1 PEPTIDES AND USES THEREOF MMP3, PEPD, MMP9 CA2 531/4885ALDH1A1 3511/4885MAPT 2889/4885
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 CA2 3830/4885ALDH1A1 4427/4885MAPT 785/4885

“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.