SCHEMBL2392464

SCHEMBL2392464

CCc1cccc(-c2ccccc2)c1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
PTGS1 P23219 2/20 0.47
FOLH1 Q04609 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
KMT2A Q03164 1/20 0.46
AKR1B1 P15121 2/20 0.44
PTGER1 P34995 2/20 0.44
PTGER4 P35408 2/20 0.44
PTGER3 P43115 2/20 0.44
PTGER2 P43116 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTGS2 P35354 1/20 0.43
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42

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
SCHEMBL2990732 0.89 AKR1B1 (0.52) PTGDR2PTGS1FOLH1PDCD1CD274
SCHEMBL30688324 0.89 PTGDR2 (0.44) PTGDR2PTGS1FOLH1AKR1B1PTGER1
Bicarbonate SCHEMBL28365018 0.86 FOLH1 (0.50) PTGDR2FOLH1PDCD1CD274KMT2A
SCHEMBL5381774 0.85 AKR1B1 (0.52) PTGDR2PTGS1FOLH1PDCD1CD274
SCHEMBL1919745 0.85 DPP4 (0.56) PTGDR2PTGS1FOLH1PDCD1CD274
SCHEMBL29101386 0.85 PTGS1 (0.46) PTGDR2PTGS1KMT2AAKR1B1ABCC4
Acetic Acid SCHEMBL28455812 0.84 FOLH1 (0.49) PTGDR2FOLH1PDCD1CD274KMT2A
SCHEMBL473270 0.83 PDCD1 (0.50) FOLH1PDCD1CD274KMT2APTGER1
SCHEMBL509798 0.83 AKR1B1 (0.54) KMT2AAKR1B1TDP1PTGS2GAA
SCHEMBL27956482 0.83 CD274 (0.47) FOLH1PDCD1CD274KMT2APTGER1

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
EP-2252299-B1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
EP-2252299-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2010-11-24 EP disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO disclosed
EP-0593192-B1 Chromogenic composition for use in pressure-sensitive record material WIGGINS TEAPE GROUP LTD (GB) 1997-03-26 EP 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-20100324088-A1 Fused Pyridone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, CHRM4 PTGDR2 160/4885PTGS1 770/4885FOLH1 4445/4885

“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.