SCHEMBL203089

SCHEMBL203089

CC(OS(=O)(=O)CC(F)(F)F)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ELANE P08246 1/20 0.40
ACHE P22303 3/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
ATM Q13315 1/20 0.39
PTPN1 P18031 1/20 0.38

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
SCHEMBL20276639 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL3525448 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL18256487 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL22402324 0.81 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL20565663 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL8248815 0.77 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL3913155 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL5222478 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL8874165 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL27562148 0.75 CDC25B (0.44) ALDH1A1L3MBTL1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088926-B2 Substituted 2-methyl-2-phenoxy-N-propyl-propionamides as cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-01-03 US disclosed
WO-2008144604-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-27 WO disclosed
US-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2008-11-20 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 (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-20080287505-A1 SUBSTITUTED 2-METHYL-2-PHENOXY-N-PROPYL-PROPIONAMIDES AS CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 ALDH1A1 3729/4885L3MBTL1 3370/4885LMNA 2674/4885

“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.