SCHEMBL29615859

SCHEMBL29615859

COC(=N)c1ccc([C@H]2Cc3ccc(C(F)(F)F)cc3B(O)O2)cc1OCc1cccnc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK8 O60259 20/20 0.84
F2 P00734 20/20 0.84
KLKB1 P03952 20/20 0.84
KLK14 Q9P0G3 20/20 0.84
KLK5 Q9Y337 20/20 0.84
ST14 Q9Y5Y6 20/20 0.84
F10 P00742 19/20 0.84
PLAU P00749 13/20 0.84
KLK1 P06870 10/20 0.84
KLK7 P49862 6/20 0.84
ELANE P08246 12/20 0.68

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
SCHEMBL23760832 1.00 KLK8 (0.84) KLK8F2KLKB1KLK14KLK5
SCHEMBL21590051 1.00 KLK8 (0.84) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585884 0.92 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21585886 0.92 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL21590048 0.92 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
SCHEMBL30712330 0.92 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
Hydrochloric Acid SCHEMBL23753668 0.91 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
Hydrochloric Acid SCHEMBL29615876 0.91 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
Hydrochloric Acid SCHEMBL23753671 0.91 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5
Hydrochloric Acid SCHEMBL29615866 0.91 KLK8 (1.00) KLK8F2KLKB1KLK14KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802550-B1 NOVEL BENZIMIDAMIDES COMPOUNDS COMPRISING AN OXABORININ RING INST NAT SANTE RECH MED (FR) 2023-12-27 EP disclosed
US-11767333-B2 Benzimidamides compounds comprising an oxaborinin ring INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2023-09-26 US disclosed
US-20220267357-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE (INSERM) (FR) 2022-08-25 US disclosed
US-11352372-B2 Benzimidamides compounds comprising an oxaborinin ring INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2022-06-07 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-11352372-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK5 KLK8 6/4885F2 1430/4885KLKB1 1/4885
US-20220267357-A1 Novel Benzimidamides Compounds Comprising an Oxaborinin Ring KLKB1, KLK1, KLK2 KLK8 5/4885F2 1737/4885KLKB1 1/4885
US-11767333-B2 Benzimidamides compounds comprising an oxaborinin ring KLKB1, KLK1, KLK2 KLK8 6/4885F2 1549/4885KLKB1 1/4885

“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.