SCHEMBL21775451

SCHEMBL21775451

O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1)c1cc(-c2ccc(O)cc2)n[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 4/20 0.56
CA12 O43570 2/20 0.56
MME P08473 3/20 0.53
MAPT P10636 5/20 0.52
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL20565066 1.00 ALPL (0.56) ALPLCA12MMEMAPTTP53
SCHEMBL20565308 0.94 ALPL (0.61) ALPLCA12MMETP53ADORA3
SCHEMBL20565306 0.94 ALPL (0.61) ALPLCA12MMETP53ADORA3
SCHEMBL21787634 0.88 MAPT (0.58) ALPLCA12MMEMAPTTP53
SCHEMBL21775444 0.78 KMT2A (0.39) MAPTGAA
SCHEMBL21775443 0.78 KMT2A (0.39) MAPTGAA
SCHEMBL20764249 0.78 ACR (0.69) ALPLCA12MAPTTP53GAA
SCHEMBL21787854 0.74 ALPL (0.50) ALPLCA12MMETP53GAA
SCHEMBL645330 0.74 ALPL (1.00) ALPLCA12MAPTTP53MARS1
SCHEMBL20764105 0.72 ACR (0.63) ALPLCA12MAPTADORA3ADORA2A

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 8 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-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-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
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 ALPL 2101/4885CA12 4614/4885MME 507/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 ALPL 2101/4885CA12 4614/4885MME 507/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 ALPL 2101/4885CA12 4614/4885MME 507/4885

“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.