SCHEMBL1980398

SCHEMBL1980398

CC(C)(C)OC(=O)NC1(C(=O)OC(C)(C)C)CC(O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BTK Q06187 1/20 0.34
EPHX2 P34913 1/20 0.34
GAA P10253 2/20 0.33
CACNA1H O95180 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
EPHX1 P07099 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 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
SCHEMBL5934647 0.93 MEN1 (0.41) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL5229523 0.93 MEN1 (0.41) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL14416213 0.93 MEN1 (0.41) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL31527127 0.88 MEN1 (0.42) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL13525930 0.88 KMT2A (0.38) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL10040060 0.88 KMT2A (0.38) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL298008 0.88 KMT2A (0.38) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL1219830 0.87 KMT2A (0.39) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL1088268 0.85 MEN1 (0.40) MEN1MAPK1KMT2ANFKB1NFKB2
SCHEMBL4966238 0.85 MEN1 (0.40) MEN1MAPK1KMT2ANFKB1NFKB2

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-8834841-B2 Imaging agents EMORY UNIVERSITY (US) 2014-09-16 US disclosed
US-20130225828-A1 IMAGING AGENTS EMORY UNIVERSITY (US) 2013-08-29 US disclosed
US-8435493-B2 Imaging agents EMORY UNIVERSITY (US) 2013-05-07 US disclosed
US-20110144483-A1 IMAGING AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7837982-B2 Imaging agents EMORY UNIVERSITY (US) 2010-11-23 US disclosed
US-20070082879-A1 Imaging Agents EMORY UNIVERSITY (US) 2007-04-12 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-20110144483-A1 IMAGING AGENTS SLC7A1, SSTR1, SSTR3 MEN1 91/4885MAPK1 4278/4885KMT2A 2212/4885
US-20070082879-A1 Imaging Agents SLC7A1, SSTR1, SSTR3 MEN1 91/4885MAPK1 4278/4885KMT2A 2212/4885
US-20130225828-A1 IMAGING AGENTS SLC7A1, SSTR1, SSTR3 MEN1 91/4885MAPK1 4280/4885KMT2A 2209/4885

“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.