SCHEMBL2216613

SCHEMBL2216613

CCCCCCCCCCCCCCCC(=O)C(O)[C@@H](N)C(C)C

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
MEN1 O00255 1/20 0.47
FAAH O00519 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CES1 P23141 3/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2219565 1.00 CES2 (0.50) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL2215864 0.91 FAAH (0.56) MEN1FAAHKMT2AMAPT
SCHEMBL2218313 0.91 FAAH (0.56) MEN1FAAHKMT2AMAPT
SCHEMBL2216417 0.87 KDM4E (0.59) MEN1FAAHKMT2A
SCHEMBL6658822 0.82 SPHK1 (0.52) CES2MEN1KMT2AMAPT
SCHEMBL6660873 0.82 SPHK1 (0.52) CES2MEN1KMT2AMAPT
SCHEMBL6662704 0.82 SPHK1 (0.52) CES2MEN1KMT2AMAPT
SCHEMBL6657792 0.82 SPHK1 (0.52) CES2MEN1KMT2AMAPT
SCHEMBL6657533 0.82 SPHK1 (0.52) CES2MEN1KMT2AMAPT
SCHEMBL6658154 0.82 SPHK1 (0.52) CES2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
EP-2262763-A2 COMPOUNDS AND METHODS OF TREATING OBESITY Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2010-12-22 EP disclosed
WO-2009109973-A2 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2009-09-11 WO 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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 CES2 107/4885MEN1 4525/4885FAAH 116/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC CES2 139/4885MEN1 4530/4885FAAH 97/4885

“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.