SCHEMBL5543083

SCHEMBL5543083

Cc1ccc(OCC(=O)O)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.56
AGER Q15109 1/20 0.54
PPARD Q03181 7/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
PTPN7 P35236 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 1/20 0.47
PPARA Q07869 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDH1 O75874 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL22602085 0.88 MCL1 (0.60) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL17896566 0.83 SMN1; SMN2 (0.55) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL585845 0.83 AGER (0.56) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL10253493 0.81 MCL1 (0.60) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL5514977 0.81 AGER (0.51) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL30025591 0.80 MCL1 (0.72) MCL1SMN1; SMN2PTPN7MEN1KMT2A
SCHEMBL585812 0.80 MCL1 (0.72) MCL1SMN1; SMN2PTPN7MEN1KMT2A
SCHEMBL29689327 0.79 AGER (0.56) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL22346861 0.79 AGER (0.56) MCL1AGERPPARDSMN1; SMN2PTPN7
SCHEMBL22601800 0.79 MRGPRX4 (0.60) MCL1AGERPPARDSMN1; SMN2PTPN7

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-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-9382216-B2 Substituted morpholines as modulators for the calcium sensing receptor LUPIN LIMITED (IN) 2016-07-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 MCL1 4514/4885AGER 1324/4885PPARD 192/4885
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 MCL1 3508/4885AGER 488/4885PPARD 1177/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MCL1 3581/4885AGER 1882/4885PPARD 442/4885

“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.