SCHEMBL22490618

SCHEMBL22490618

Cn1c(=O)ccc2ccc(F)c(OCC=O)c21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
CA12 O43570 1/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
CA9 Q16790 1/20 0.33
KAT2B Q92831 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL30448719 1.00 CTSS (0.40) CTSSCTSKCTSLCA12BRD4
SCHEMBL23084964 0.80 CTSL (0.35) CTSSCTSKCTSL
SCHEMBL30448616 0.79 MAOA (0.33) CA12BRD4BRPF1CA9KAT2B
SCHEMBL23068664 0.79 MAOA (0.33) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29712069 0.79 CYP19A1 (0.56) CTSSCTSKCTSLBRD4KAT2B
SCHEMBL23084916 0.79 CYP19A1 (0.56) CTSSCTSKCTSLBRD4KAT2B
SCHEMBL25492729 0.78 HTR1B (0.35) CA12BRD4BRPF1CA9KAT2B
SCHEMBL22490631 0.76 PKM (0.33)
SCHEMBL22490597 0.75 ALDH1A1 (0.38) CTSSCTSKCTSL
SCHEMBL3102060 0.75 BRPF1 (0.35) CA12BRD4BRPF1CA9KAT2B

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
CN-111527093-B Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2023-06-09 CN disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
EP-3717490-B1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS BUGWORKS RES INC (US) 2023-05-24 EP disclosed
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis Bugworks Research, Inc. (US) 2022-08-02 US disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US disclosed
US-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. 2021-03-11 US disclosed
EP-3717490-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS Bugworks Research, Inc. (US) 2020-10-07 EP disclosed
CN-111527093-A Antibacterial heterocyclic compounds and synthesis thereof 巴格沃克斯研究有限公司 2020-08-11 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 (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-20210070772-A1 ANTI-BACTERIAL HETEROCYCLIC COMPOUNDS AND THEIR SYNTHESIS HLA-B, BAX, REN CTSS 645/4885CTSK 2130/4885CTSL 1994/4885
US-11401277-B2 Anti-bacterial heterocyclic compounds and their synthesis HLA-B, BAX, REN CTSS 645/4885CTSK 2130/4885CTSL 1994/4885

“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.