SCHEMBL3458099

SCHEMBL3458099

CNC(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
SCHEMBL3458098 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1272114-A Phenethylamine derivatives CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-11-01 CN claimed
US-20250369029-A1 METHOD FOR PRODUCING AMINO ACID AND PEPTIDE COMPOUND, USING ENZYME AND ADDITIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2025-12-04 US disclosed
US-20250129398-A1 POLYPEPTIDE AND METHOD FOR PRODUCING AMINO ACID USING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-04-24 US disclosed
EP-4520829-A1 METHOD FOR PRODUCING AMINO ACID AND PEPTIDE COMPOUND, USING ENZYME AND ADDITIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-03-12 EP disclosed
WO-2023219156-A1 METHOD FOR PRODUCING AMINO ACID AND PEPTIDE COMPOUND, USING ENZYME AND ADDITIVE 中外製薬株式会社 2023-11-16 WO disclosed
EP-3339315-B1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS RETROTOPE INC (US) 2023-10-18 EP disclosed
WO-2023127752-A1 POLYPEPTIDE AND METHOD FOR PRODUCING AMINO ACID USING SAME 中外製薬株式会社 2023-07-06 WO disclosed
EP-4206322-A2 POLYPEPTIDE AND METHOD FOR PRODUCING AMINO ACID USING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-07-05 EP disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
WO-2023089542-A1 PEPTIDES AND USES THEREOF PreveCeutical Medical Inc. (CA) 2023-05-25 WO disclosed
US-5476841-A Inhibitors of herpes viral ribonucleotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1995-12-19 US disclosed
CN-1109780-A Sustained-release preparation of anti-endothelin substance TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-10-11 CN disclosed
EP-0411334-B1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-02-22 EP disclosed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO disclosed
EP-0618226-A1 Inhibitors of herpes viral ribonculeotide reductase BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-10-05 EP disclosed
WO-1994020528-A1 INHIBITORS OF HERPES VIRAL RIBONUCLEOTIDE REDUCTASE BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-09-15 WO disclosed
WO-1993018056-A1 ISOSTERIC ANTIHERPES PEPTIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO disclosed
EP-0560267-A1 Isosteric antiherpes peptide derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP disclosed
EP-0493770-A2 Antiherpes compositions BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1992-07-08 EP disclosed
EP-0411334-A1 Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-02-06 EP 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-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP CA2 814/4885ALDH1A1 3285/4885MAPT 3987/4885

“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.