SCHEMBL19645331

SCHEMBL19645331

C=C(COC(C)=O)S(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.35
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 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
SCHEMBL9968041 0.74 ALDH1A1 (0.34) ALDH1A1HSD17B10LMNATDP1FAAH
SCHEMBL8612369 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10LMNATDP1CHRM5
SCHEMBL9870266 0.74
SCHEMBL1034236 0.74
SCHEMBL4688208 0.73 ALDH1A1 (0.53) ALDH1A1HSD17B10LMNATDP1CHRM5
SCHEMBL22607130 0.73 ALDH1A1 (0.37) ALDH1A1HSD17B10LMNATDP1CHRM5
SCHEMBL5365919 0.72
SCHEMBL14839616 0.72
Ethane SCHEMBL10598555 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10LMNATDP1CHRM5
SCHEMBL16585534 0.71

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
US-10669290-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2020-06-02 US disclosed
US-20190225628-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-25 US disclosed
US-20180194783-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2018-07-12 US disclosed
US-9828391-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-11-28 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-20180194783-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885HSD17B10 913/4885LMNA 542/4885
US-20190225628-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT ALDH1A1 305/4885HSD17B10 913/4885LMNA 542/4885
US-10669290-B2 Beta-lactamase inhibitors MGAM, GAA, LCT ALDH1A1 305/4885HSD17B10 913/4885LMNA 542/4885

“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.