SCHEMBL30053300

SCHEMBL30053300

COC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.59
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ HCRTR1 O43613 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MPO P05164 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ PMP22 Q01453 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ IL1RN P18510 3/20 0.56
▸ ERAP2 Q6P179 2/20 0.56
▸ ECE1 P42892 4/20 0.55

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
SCHEMBL30800609 0.92 KMT2A (0.66) ACEMEN1KMT2AHCRTR1KDM4E
SCHEMBL20829913 0.92 KMT2A (0.66) ACEMEN1KMT2AHCRTR1KDM4E
SCHEMBL11660007 0.90 IL1RN (0.61) ACEMEN1KMT2AHCRTR1KDM4E
Hydrochloric Acid SCHEMBL11662208 0.89 IL1RN (0.61) ACEMEN1KMT2AHCRTR1KDM4E
SCHEMBL11664273 0.88 IL1RN (0.67) IL1RNERAP2ECE1
SCHEMBL20829962 0.88 ERAP2 (0.61) MEN1KMT2AHCRTR1KDM4ELMNA
SCHEMBL29350923 0.88 IL1RN (0.67) IL1RNERAP2ECE1
SCHEMBL30374944 0.88 ERAP2 (0.61) MEN1KMT2AHCRTR1KDM4ELMNA
SCHEMBL26817747 0.88 ACE (0.69) ACEMEN1KMT2AHCRTR1KDM4E
SCHEMBL31184558 0.88 ACE (0.69) ACEMEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12570688-B2 Activated cysteine-directed polypeptide ligation technique THE TEXAS A&M UNIVERSITY SYSTEM (US) 2026-03-10 — — US disclosed
US-20230002442-A1 AN ACTIVATED CYSTEINE-DIRECTED POLYPEPTIDE LIGATION TECHNIQUE THE TEXAS A&M UNIVERSITY SYSTEM 2023-01-05 — — US disclosed
EP-4085139-A1 AN ACTIVATED CYSTEINE-DIRECTED POLYPEPTIDE LIGATION TECHNIQUE The Texas A&M University System (US) 2022-11-09 — — 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-12570688-B2 Activated cysteine-directed polypeptide ligation technique PTMS, LNPEP, ANPEP ACE 2192/4885MEN1 3564/4885KMT2A 1012/4885

“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.

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