SCHEMBL30695869

SCHEMBL30695869

COC(=O)[C@@H]1CC[C@@H](N(OCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.42
MCL1 Q07820 5/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KLK7 P49862 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL23668279 0.93 CCR5 (0.43) CCR5MCL1TDP1MAPK1KLK7
SCHEMBL28574162 0.92 NR1H2 (0.44) CCR5MCL1NR1H2NR1H3KLK7
SCHEMBL28577303 0.89 MMP2 (0.46) CCR5TDP1MAPK1ATMALDH1A1
SCHEMBL30695875 0.88 MAPK1 (0.41) CCR5TDP1MAPK1ATMALDH1A1
SCHEMBL24142140 0.86 MAPK1 (0.43) CCR5TDP1MAPK1ATMALDH1A1
SCHEMBL24142105 0.86 MAPK1 (0.43) CCR5TDP1MAPK1ATMALDH1A1
SCHEMBL24142137 0.85 MMP2 (0.46) CCR5TDP1MAPK1ATMALDH1A1
SCHEMBL23668282 0.84 NR1H2 (0.42) CCR5MCL1NR1H2NR1H3KLK7
SCHEMBL23668284 0.81 MAPK1 (0.43) CCR5TDP1MAPK1ATMALDH1A1
SCHEMBL15347117 0.81 MEN1 (0.43) MCL1KLK7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854786-B1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES UBE CORP (JP) 2026-02-18 EP disclosed
US-12281074-B2 Method for producing amino acid derivatives UBE CORPORATION (JP) 2025-04-22 US disclosed
CN-119707784-A Process for preparing amino acid derivatives 株式会社API 2025-03-28 CN disclosed
US-12202800-B2 Method for producing amino acid derivatives API CORPORATION (JP) 2025-01-21 US disclosed
CN-112930338-B Process for preparing amino acid derivatives 株式会社API 2024-12-24 CN disclosed
US-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2024-05-09 US disclosed
US-11897844-B2 Method for producing amino acid derivatives API CORPORATION (JP) 2024-02-13 US disclosed
US-20240002340-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES API CORPORATION (JP) 2024-01-04 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 (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-20240150292-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES PTGS2, PTGES, PTGS1 CCR5 3732/4885MCL1 3260/4885TDP1 3851/4885
US-12202800-B2 Method for producing amino acid derivatives GLO1, BCAT2, BCAT1 CCR5 4626/4885MCL1 1451/4885TDP1 4509/4885
US-20240002340-A1 METHOD FOR PRODUCING AMINO ACID DERIVATIVES GLO1, BCAT2, BCAT1 CCR5 4626/4885MCL1 1451/4885TDP1 4509/4885
US-11897844-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 CCR5 3724/4885MCL1 3496/4885TDP1 3836/4885
US-12281074-B2 Method for producing amino acid derivatives PTGS2, PTGES, PTGES2 CCR5 3724/4885MCL1 3496/4885TDP1 3836/4885

“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.