SCHEMBL23722944

SCHEMBL23722944

O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
KLKB1 P03952 1/20 0.46

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
SCHEMBL26452658 1.00 PIN1 (0.47) PIN1CTSLCTSBCTSSKLKB1
SCHEMBL24766498 0.93
SCHEMBL26452140 0.93
SCHEMBL23722361 0.93
SCHEMBL23722832 0.88 CTSL (0.52) CTSLCTSBCTSS
SCHEMBL23722575 0.84 MEN1 (0.47) CTSLCTSBCTSS
SCHEMBL26452678 0.84 MEN1 (0.47) CTSLCTSBCTSS
SCHEMBL21702277 0.84 KLKB1 (0.52) PIN1CTSLCTSBKLKB1
SCHEMBL21702273 0.83 KLKB1 (0.47) PIN1CTSLCTSBKLKB1
SCHEMBL23711139 0.83 KLKB1 (0.47) PIN1CTSLCTSBKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND FRONTIER BIOTECHNOLOGIES INC. (CN) 2023-05-04 US claimed
US-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND FRONTIER BIOTECHNOLOGIES INC. (CN) 2023-05-04 US disclosed
EP-4098653-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP disclosed
WO-2021151265-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND 中国科学院上海药物研究所 2021-08-05 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 (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-20230138310-A1 PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND ACE, ACE2, TMPRSS2 PIN1 1291/4885CTSL 15/4885CTSB 127/4885

“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.