SCHEMBL18758702

SCHEMBL18758702

CC(C)(C)OC(=O)C[C@@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOS1 P29475 2/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
LTA4H P09960 1/20 0.34
SLC7A5 Q01650 1/20 0.33
GRIK1 P39086 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL1934270 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL975517 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL22398615 0.98 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL853594 0.98 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL16754608 0.98 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Ammonia Solution, Strong SCHEMBL2393369 0.98 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL918665 0.98 CYP2D6 (0.40) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL4426559 0.88 CA12 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL852345 0.88 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL2363538 0.88 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12478081-B2 Application of aspartic acid derivative in preparing animal feed additive Anipha Technologies Pty Ltd (AU) 2025-11-25 US disclosed
EP-4626489-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF Novartis AG (CH) 2025-10-08 EP disclosed
US-12302927-B2 Application of aspartic acid derivative in preparing animal feed additive Anipha Technologies Pty Ltd (AU) 2025-05-20 US disclosed
US-20240284937-A1 APPLICATION OF ASPARTIC ACID DERIVATIVE IN PREPARING ANIMAL FEED ADDITIVE Anipha Technologies Pty Ltd (AU) 2024-08-29 US disclosed
WO-2024116053-A1 PCTA DERIVATIVES, CONJUGATES THEREOF AND USES THEREOF NOVARTIS AG (CH) 2024-06-06 WO disclosed
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
WO-2017063755-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-04-20 WO disclosed
WO-2017063754-A1 CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS POLYPHOR AG (CH) 2017-04-20 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 (5 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-12478081-B2 Application of aspartic acid derivative in preparing animal feed additive AADAT, SLC1A5, SLC1A3 CYP2D6 4385/4885HDAC3 2280/4885HDAC1 2201/4885
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 CYP2D6 1941/4885HDAC3 1799/4885HDAC1 2484/4885
US-12302927-B2 Application of aspartic acid derivative in preparing animal feed additive AADAT, SLC1A5, SLC1A3 CYP2D6 4062/4885HDAC3 2225/4885HDAC1 2235/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 CYP2D6 1857/4885HDAC3 1794/4885HDAC1 2508/4885
US-20240284937-A1 APPLICATION OF ASPARTIC ACID DERIVATIVE IN PREPARING ANIMAL FEED ADDITIVE AADAT, SLC1A5, SLC1A3 CYP2D6 4385/4885HDAC3 2280/4885HDAC1 2201/4885

“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.