SCHEMBL2111868

SCHEMBL2111868

CC(C(=O)O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.56
PTGS2 P35354 9/20 0.45
PTGS1 P23219 9/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
ABCC4 O15439 1/20 0.45
C5 P01031 1/20 0.45
PDE4D Q08499 1/20 0.45
TPMT P51580 1/20 0.44
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 2/20 0.44
CHRM1 P11229 1/20 0.44
SLC22A6 Q4U2R8 3/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
HIF1A Q16665 2/20 0.43
PSEN1 P49768 2/20 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
SCHEMBL1679174 0.86 APP (0.53) APPPTGS2PTGS1MAPTMEN1
SCHEMBL585265 0.86 APP (0.45) APPPTGS2PTGS1MAPTMEN1
SCHEMBL135272 0.86 APP (0.45) APPPTGS2PTGS1MAPTMEN1
SCHEMBL31688982 0.81 PTGS2 (0.65) APPPTGS2AKR1C3AKR1C2PSEN1
SCHEMBL5385340 0.80 APP (0.57) APPGRNSORT1TPMTTSHR
SCHEMBL29538369 0.79 PTGS1 (0.59) APPPTGS2PTGS1MAPTMEN1
SCHEMBL1917129 0.79 PTGS1 (0.59) APPPTGS2PTGS1MAPTMEN1
SCHEMBL15641429 0.79 PTGS1 (0.59) APPPTGS2PTGS1MAPTMEN1
Hydrochloric Acid SCHEMBL5394547 0.78 APP (0.55) APPGRNSORT1TPMTSMN1; SMN2
SCHEMBL1590331 0.77 PTGS2 (0.61) APPPTGS2PTGS1MAPTMEN1

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
WO-2023101326-A1 NOVEL COMPOUND AS AUTOTAXIN INHIBITOR AND USE THEREOF 주식회사 넥스트젠바이오사이언스 2023-06-08 WO disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-8158633-B2 Phenyl-substituted pyrazolopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
EP-1194401-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
WO-2001005753-A1 DIACYLHYDRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-01-25 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 (1 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-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR APP 2904/4885PTGS2 525/4885PTGS1 567/4885

“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.