SCHEMBL21046147

SCHEMBL21046147

CCOC(=O)CSC1=C(C(=O)O)N2C(=O)[C@H](C(C)O)[C@H]2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ESR1 P03372 1/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A4 P31645 1/20 0.50
KCNH2 Q12809 1/20 0.50
SLC29A1 Q99808 1/20 0.50
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.36
ELANE P08246 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL21046146 1.00 LMNA (0.59) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL21046153 1.00 LMNA (0.59) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL21046155 1.00 LMNA (0.59) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL22166267 0.88 LMNA (0.60) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL10825431 0.86 KDM4E (0.65) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL10825390 0.86 KDM4E (0.65) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL11107212 0.85 KDM4E (0.67) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL10825355 0.85 KDM4E (0.67) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL13020131 0.82 KDM4E (0.71) LMNAKDM4EESR1CHRM1SLC6A4
SCHEMBL14770017 0.82 KDM4E (0.71) LMNAKDM4EESR1CHRM1SLC6A4

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
US-10695322-B2 Inhibitors of bacterial growth THE JOHNS HOPKINS UNIVERSITY (US) 2020-06-30 US disclosed
US-20190167637-A1 NOVEL INHIBITORS OF BACTERIAL GROWTH RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-06-06 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 (2 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-20190167637-A1 NOVEL INHIBITORS OF BACTERIAL GROWTH DPEP1, PEPD, ANPEP LMNA 3562/4885KDM4E 1353/4885ESR1 4214/4885
US-10695322-B2 Inhibitors of bacterial growth DPEP1, PEPD, ANPEP LMNA 3691/4885KDM4E 1171/4885ESR1 3986/4885

“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.