SCHEMBL23629002

SCHEMBL23629002

COC(=O)c1ccc(N)c(OCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SCN1A P35498 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
HIF1A Q16665 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ATM Q13315 3/20 0.43
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL31500911 0.88 NOTUM (0.48) CA12CA1CA2CA9ATM
SCHEMBL17992563 0.87 CA12 (0.49) CA12CA1CA2CA9ATM
SCHEMBL15595608 0.87 MGLL (0.53) CA12CA1CA2CA9CYP1A2
SCHEMBL31500913 0.86 CA12 (0.48) CA12CA1CA2CA9ATM
SCHEMBL31500921 0.86 TTR (0.50) CA12CA1CA2CA9ATM
SCHEMBL21609702 0.85 CA12 (0.52) CA12CA1CA2CA9CYP2D6
SCHEMBL17992559 0.84 CA12 (0.46) CA12CA1CA2CA9CYP1A2
SCHEMBL18165162 0.84 MGLL (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL16709793 0.83 RAB9A (0.47) CA12CA1CA2CA9BRD4
SCHEMBL18152526 0.83 CA12 (0.48) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 US disclosed
US-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA UNIVERZA V LJUBLJANI (SI) 2021-10-21 US disclosed
EP-3847172-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA Univerza v Ljubljani (SI) 2021-07-14 EP 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-20210323957-A1 NEW CLASS OF DNA GYRASE AND/OR TOPOISOMERASE IV INHIBITORS WITH ACTIVITY AGAINST GRAM-POSITIVE AND GRAM-NEGATIVE BACTERIA TOP1, TOP2A, TOP2B CA12 2601/4885CA1 2207/4885CA2 379/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B CA12 2788/4885CA1 2285/4885CA2 403/4885

“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.