SCHEMBL21775446

SCHEMBL21775446

COc1ccc(-c2n[nH]c(C(=O)NC(C(=O)O)c3ccc(Cl)cc3)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.48
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
CSF1R P07333 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PIM1 P11309 1/20 0.41
CDK2 P24941 1/20 0.41
RPS6KA3 P51812 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
MAPT P10636 2/20 0.41
ALOX12 P18054 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 1/20 0.41

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
SCHEMBL21775445 1.00 HSP90AA1 (0.48) HSP90AA1ROCK2PRKD3CSF1RHSP90AB1
SCHEMBL21775444 0.88 KMT2A (0.39) HSP90AA1MAPTALOX12GAAALOX15
SCHEMBL21775443 0.88 KMT2A (0.39) HSP90AA1MAPTALOX12GAAALOX15
SCHEMBL21787698 0.82 HSP90AA1 (0.45) HSP90AA1ROCK2PRKD3CSF1RHSP90AB1
SCHEMBL30639602 0.71 ALOX12 (0.53) HSP90AA1CDK2MAPTALOX12LMNA
SCHEMBL21787695 0.69 HSP90AA1 (0.32) HSP90AA1MAPTALOX12GAAALOX15
SCHEMBL11646318 0.68 ATM (0.55) TP53CNR2MEN1CYP1A2CYP3A4
SCHEMBL21775451 0.68 ALPL (0.56) MAPTTP53GAA
SCHEMBL20565066 0.68 ALPL (0.56) MAPTTP53GAA
SCHEMBL13591432 0.67 HSP90AA1 (0.85) HSP90AA1ROCK2PRKD3CSF1RHSP90AB1

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 6 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 claimed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US claimed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 US claimed
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-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 HSP90AA1 1302/4885ROCK2 2184/4885PRKD3 4066/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 HSP90AA1 1302/4885ROCK2 2184/4885PRKD3 4066/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 HSP90AA1 1302/4885ROCK2 2184/4885PRKD3 4066/4885

“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.