SCHEMBL20719609

SCHEMBL20719609

CC(=O)OC(C)c1ccc(Br)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
STAT6 P42226 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HIF1A Q16665 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CYP26A1 O43174 2/20 0.34
CYP19A1 P11511 5/20 0.33
CYP17A1 P05093 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL25517535 0.81 P2RX7 (0.39) TSHRCYP3A4KDM4EABCB11LMNA
SCHEMBL5937174 0.77 CYP1A2 (0.50) TSHRCYP2C9CYP19A1ALDH1A1CYP1A2
SCHEMBL29510782 0.77 CYP1A2 (0.50) TSHRCYP2C9CYP19A1ALDH1A1CYP1A2
SCHEMBL29108191 0.77 CYP11B1 (0.33) FDFT1CYP26A1
SCHEMBL29510759 0.77 CYP1A2 (0.50) TSHRCYP2C9CYP19A1ALDH1A1CYP1A2
SCHEMBL14466832 0.76
SCHEMBL20719575 0.76 AR (0.36) TSHRCYP3A4KDM4EABCB11LMNA
SCHEMBL26156221 0.76 CYP2C9 (0.40) CYP3A4CYP2C9
SCHEMBL21200362 0.75 CYP19A1 (0.35) TSHRCYP3A4KDM4EABCB11LMNA
SCHEMBL21201010 0.75 CYP19A1 (0.35) TSHRCYP3A4KDM4EABCB11LMNA

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
EP-3447058-B1 NOVEL BROAD-SPECTRUM BETA-LACTAMASE INHIBITOR WUHAN VISION PHARMACEUTICAL TECH CO LTD (CN) 2023-10-11 EP disclosed
US-10479805-B2 Beta-lactamase inhibitor WUHAN VISION PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-11-19 US disclosed
US-20190048027-A1 BETA-LACTAMASE INHIBITOR WUHAN VISION PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-02-14 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 (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-20190048027-A1 BETA-LACTAMASE INHIBITOR ALPI, MGAM, LCT FDFT1 884/4885TSHR 3542/4885CYP3A4 791/4885
US-10479805-B2 Beta-lactamase inhibitor ALPI, MGAM, LCT FDFT1 884/4885TSHR 3542/4885CYP3A4 791/4885

“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.