SCHEMBL20719579

SCHEMBL20719579

CC(=O)OCCc1ccc(C#N)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
GRM2 Q14416 3/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
AR P10275 1/20 0.39
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KDM1A O60341 1/20 0.35
MET P08581 1/20 0.35
USP14 P54578 1/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
PDE10A Q9Y233 1/20 0.34
BRD4 O60885 1/20 0.34
PDE4B Q07343 1/20 0.34
PARP14 Q460N5 1/20 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
SCHEMBL30554488 1.00 ACACB (0.43) ACACBGRM2FFAR1FFAR4AR
SCHEMBL20943271 0.86 ACACB (0.41) ACACBGRM2FFAR1FFAR4AR
SCHEMBL14313759 0.85 ALDH1A1 (0.46) ACACBGRM2ARNAMPTALDH1A1
SCHEMBL30404220 0.80 GRM2 (0.38) ACACBGRM2FFAR1FFAR4AR
SCHEMBL27718312 0.78 TSHR (0.51) NAMPTALDH1A1MAPTMET
SCHEMBL9519051 0.78 MYC (0.40) GRM2ALDH1A1MAPTKDM1AUSP14
SCHEMBL25399532 0.78 PDE3B (0.38) GRM2ALDH1A1KDM1AUSP14PDE4B
SCHEMBL14109903 0.77 CYP4F2 (0.54) ACACBFFAR1FFAR4ALDH1A1MAPT
SCHEMBL20943263 0.77 ALDH1A1 (0.54) FFAR1ALDH1A1MAPT
SCHEMBL20719611 0.77 RAD52 (0.38) ALDH1A1MAPTMET

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 9 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
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-10479805-B2 Beta-lactamase inhibitor WUHAN VISION PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-11-19 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP 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 (6 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 ACACB 984/4885GRM2 4631/4885FFAR1 4427/4885
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA ACACB 1389/4885GRM2 3382/4885FFAR1 849/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA ACACB 1598/4885GRM2 3595/4885FFAR1 702/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA ACACB 1598/4885GRM2 3595/4885FFAR1 702/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA ACACB 1389/4885GRM2 3382/4885FFAR1 849/4885
US-10479805-B2 Beta-lactamase inhibitor ALPI, MGAM, LCT ACACB 984/4885GRM2 4631/4885FFAR1 4427/4885

“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.