SCHEMBL21787640

SCHEMBL21787640

COC(=O)[C@@H](N)c1ccc(I)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.40
GSK3B P49841 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
SLC6A4 P31645 3/20 0.37
MT-CO2 P00403 1/20 0.36
CNR1 P21554 1/20 0.35
SLC6A2 P23975 2/20 0.35

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
SCHEMBL7252180 0.90 KMT2A (0.48) SLC6A3KMT2AALDH1A1ESR1ESR2
SCHEMBL1143625 0.82 ESR1 (0.54) KMT2AALDH1A1ESR1ESR2MT-CO2
SCHEMBL8058922 0.82 L3MBTL1 (0.45) KMT2AALDH1A1ESR1ESR2MT-CO2
SCHEMBL1143624 0.82 ESR1 (0.54) KMT2AALDH1A1ESR1ESR2MT-CO2
SCHEMBL9620180 0.82 SLC6A3 (0.47) SLC6A3KMT2AALDH1A1ESR1ESR2
SCHEMBL14032514 0.82 L3MBTL1 (0.46) KMT2AALDH1A1MT-CO2
SCHEMBL8252300 0.82 L3MBTL1 (0.45) KMT2AALDH1A1ESR1ESR2MT-CO2
SCHEMBL2585312 0.82 ESR1 (0.54) KMT2AALDH1A1ESR1ESR2MT-CO2
SCHEMBL1969493 0.81 RAB9A (0.49) KMT2A
SCHEMBL21787635 0.81 L3MBTL1 (0.49) SLC6A3KMT2ASLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 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 (3 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-11666555-B2 RelA inhibitors for biofilm disruption RELA, NFKBIA, NFKB1 SLC6A3 4629/4885KMT2A 1797/4885ACACB 2253/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 SLC6A3 4629/4885KMT2A 1797/4885ACACB 2253/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 SLC6A3 4629/4885KMT2A 1797/4885ACACB 2253/4885

“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.