SCHEMBL23056573

SCHEMBL23056573

C=CCCC(=O)N[C@@H](Cc1ccc(C)cc1)C(=O)OCC#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.40
HDAC6 Q9UBN7 8/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTSB P07858 2/20 0.39
TACR1 P25103 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 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
SCHEMBL16288777 0.89 HDAC1 (0.38) HDAC1HDAC6CTSBCTSLCTSS
SCHEMBL15083394 0.89 HDAC1 (0.38) HDAC1HDAC6CTSBCTSLCTSS
SCHEMBL7074223 0.89 ACE (0.47) HDAC1HDAC6CTSBTACR1CTSL
SCHEMBL7074221 0.89 ACE (0.47) HDAC1HDAC6CTSBTACR1CTSL
SCHEMBL16288907 0.86 NOS3 (0.42) HDAC1HDAC6TACR1CTSL
SCHEMBL15083531 0.86 NOS3 (0.42) HDAC1HDAC6TACR1CTSL
SCHEMBL22686106 0.85 CTSS (0.48) ALDH1A1CTSBTACR1CTSLCTSS
SCHEMBL20630581 0.82 CTSL (0.46) CTSBCTSLCTSS
SCHEMBL22348905 0.82 CTSS (0.45) ATMALDH1A1CTSBTACR1CTSL
SCHEMBL22686097 0.82 CTSS (0.45) ATMALDH1A1CTSBTACR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 EP disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 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 (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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R HDAC1 2622/4885HDAC6 337/4885ATM 3913/4885

“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.