SCHEMBL20719862

SCHEMBL20719862

CC(C)(C)OC(=O)c1ncc(CN)cc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.35
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
GABRA1 P14867 8/20 0.34
GABRG2 P18507 8/20 0.34
GABRB3 P28472 8/20 0.34
GABRA5 P31644 8/20 0.34
GABRA3 P34903 8/20 0.34
GABRA2 P47869 8/20 0.34
GABRA6 Q16445 7/20 0.34
GABRA4 P48169 5/20 0.34
GABRB2 P47870 4/20 0.34
LOXL2 Q9Y4K0 4/20 0.34
GABRP O00591 3/20 0.34
GABRD O14764 3/20 0.34
GABRB1 P18505 3/20 0.34
GABRE P78334 3/20 0.34
GABRG1 Q8N1C3 3/20 0.34
GABRG3 Q99928 3/20 0.34
GABRQ Q9UN88 3/20 0.34

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
SCHEMBL6982885 0.83 CFTR (0.37) SLC7A5GABRA1GABRG2GABRB3GABRA5
SCHEMBL7471367 0.80 KDM4E (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27537755 0.78 SLC7A5 (0.39) SLC7A5LOXL2CYP2C9NR1H2ALDH1A1
SCHEMBL1018101 0.75 SLC7A5 (0.40) SLC7A5LOXL2NR1H2ALDH1A1RXRA
SCHEMBL18681199 0.75 LOXL2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9630611 0.73 GABRP (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20719561 0.72 SLC7A5 (0.38) SLC7A5GABRA1GABRG2GABRB3GABRA5
SCHEMBL29619789 0.72 DHODH (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28965796 0.72 DHODH (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28983540 0.71 CYP2C9 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

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 5 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
CN-105801610-B New-type wide-spectrum beta-lactamase inhibitor 武汉维舜医药科技有限公司 2018-05-18 CN disclosed
CN-105801610-A Novel broad-spectrum beta-lactamase inhibitor 武汉维舜医药科技有限公司 2016-07-27 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-20190048027-A1 BETA-LACTAMASE INHIBITOR ALPI, MGAM, LCT SLC7A5 2227/4885ACACB 984/4885ACACA 1023/4885
US-10479805-B2 Beta-lactamase inhibitor ALPI, MGAM, LCT SLC7A5 2227/4885ACACB 984/4885ACACA 1023/4885

“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.