SCHEMBL13773178

SCHEMBL13773178

CC(C)COC(=O)NC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 6/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.36
MAOB P27338 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
HTT P42858 3/20 0.33
TACR1 P25103 1/20 0.33
NMBR P28336 1/20 0.33
ALOX15 P16050 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7411217 0.86 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL14519887 0.80 GAA (0.42) SMN1; SMN2ALDH1A1HSD17B10LMNAHTT
SCHEMBL7883350 0.79 SLC7A5 (0.44) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL9990175 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL20711249 0.77 MAPK1 (0.40) SMN1; SMN2ALDH1A1KDM4EMAPK1L3MBTL1
SCHEMBL5161738 0.77 ALDH1A1 (0.44) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL16922403 0.77 SMN1; SMN2 (0.42) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL8299466 0.75 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL3995216 0.75 SMN1; SMN2 (0.45) SMN1; SMN2TSHRALDH1A1KDM4EMAPK1
SCHEMBL967608 0.75

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-8946188-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-02-03 US disclosed
US-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-01-23 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 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-20140024611-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH SMN1; SMN2 4772/4885TSHR 1484/4885ALDH1A1 4157/4885
US-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH SMN1; SMN2 4772/4885TSHR 1484/4885ALDH1A1 4157/4885

“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.