SCHEMBL25601313

SCHEMBL25601313

CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGS1 P23219 2/20 0.36
ESR1 P03372 2/20 0.36
PDE4A P27815 1/20 0.36
ELANE P08246 2/20 0.36
FAP Q12884 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC29A1 Q99808 1/20 0.33
ABCC2 Q92887 1/20 0.33

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
SCHEMBL22844515 1.00 CACNA1C (0.41) CACNA1CKDM4ETSHRHSD17B10TDP1
SCHEMBL14470898 0.87 CACNA1C (0.42) CACNA1CKDM4EPTGS1ESR1PDE4A
SCHEMBL25607747 0.86 FAP (0.36) CACNA1CKDM4ETSHRHSD17B10TDP1
SCHEMBL22844517 0.86 FAP (0.36) CACNA1CKDM4ETSHRHSD17B10TDP1
SCHEMBL25601319 0.85 ELANE (0.47) ELANE
SCHEMBL29875193 0.85 CACNA1C (0.40) CACNA1CKDM4EPTGS1ESR1PDE4A
SCHEMBL23258102 0.84 FAP (0.33) CACNA1CKDM4ETSHRHSD17B10TDP1
SCHEMBL8184773 0.83 CACNA1C (0.44) CACNA1CKDM4EPTGS1ESR1PDE4A
SCHEMBL13946281 0.83 CACNA1C (0.44) CACNA1CKDM4EPTGS1ESR1PDE4A
SCHEMBL21556160 0.82 CACNA1C (0.39) CACNA1CKDM4EPTGS1ESR1PDE4A

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-20230173079-A1 Conjugate Molecules DIVERSE BIOTECH, INC. (US) 2023-06-08 US disclosed
US-20230173079-A1 Conjugate Molecules DIVERSE BIOTECH, INC. (US) 2023-06-08 US disclosed
CN-114957258-A Synthesis of wide-spectrum serine beta-lactamase inhibitor based on carbapenem structure and application of inhibitor in drug-resistant bacteria inhibition 华东理工大学 2022-08-30 CN 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-20230173079-A1 Conjugate Molecules CNR2, CNR1, MAG CACNA1C 4432/4885KDM4E 1418/4885TSHR 3475/4885

“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.