SCHEMBL175179

SCHEMBL175179

CCOC(=O)[C@@H](NC(=O)OCc1ccc(OC(C)=O)c(OC)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.44
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TYR P14679 1/20 0.39
ALOX15 P16050 2/20 0.38

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
SCHEMBL137093 1.00 MEN1 (0.47) MEN1KMT2APTGS1MAPK1LTA4H
SCHEMBL136888 0.89 MAPK1 (0.57) MEN1KMT2APTGS1MAPK1TSHR
SCHEMBL17488469 0.81 MEN1 (0.61) MEN1KMT2APTGS1MAPK1TSHR
SCHEMBL136543 0.80 MEN1 (0.48) MEN1KMT2APTGS1MAPK1LTA4H
SCHEMBL102366 0.79 PTGS1 (0.54) PTGS1LTA4HTSHRSMN1; SMN2ALDH1A1
SCHEMBL101661 0.79 PTGS1 (0.49) MEN1KMT2APTGS1LTA4HTSHR
SCHEMBL102371 0.75 MGLL (0.52) PTGS1LTA4H
SCHEMBL24596987 0.75 CTSB (0.59) MEN1KMT2ALMNA
SCHEMBL14595222 0.75 CTSB (0.59) MEN1KMT2ALMNA
SCHEMBL136889 0.75 PTGS1 (0.50) MEN1KMT2APTGS1MAPK1LTA4H

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752582-B2 Augmenting moieties for anti-inflammatory compounds LEHIGH UNIVERSITY (US) 2020-08-25 US disclosed
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2017-02-16 US disclosed
US-9512068-B2 Augmenting moieties for anti-inflammatory compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-06 US disclosed
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds LEHIGH UNIVERSITY 2016-02-04 US disclosed
US-8343971-B2 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-01-01 US disclosed
US-20120059007-A1 Pharmacologically-active vanilloid carbamates RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-03-08 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 (4 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-20120059007-A1 Pharmacologically-active vanilloid carbamates FAAH, FAAH2, TRPV1 MEN1 2796/4885KMT2A 1600/4885PTGS1 74/4885
US-10752582-B2 Augmenting moieties for anti-inflammatory compounds PTGES, PTGES3, LRBA MEN1 4522/4885KMT2A 2466/4885PTGS1 11/4885
US-20160031804-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, ICAM1, VCAM1 MEN1 4476/4885KMT2A 2489/4885PTGS1 9/4885
US-20170044096-A1 Augmenting Moieties for Anti-Inflammatory Compounds PTGES, PTGES3, LRBA MEN1 4522/4885KMT2A 2466/4885PTGS1 11/4885

“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.