SCHEMBL277045

SCHEMBL277045

CCOC(=O)COc1ccc(C(=O)C(C)C(=O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TBXAS1 P24557 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL16332495 0.79 GAA (0.59) GAANPSR1MAPTPOLBLMNA
SCHEMBL277187 0.77 MAOB (0.53) LMNAALDH1A1SMN1; SMN2
SCHEMBL28923662 0.77 GAA (0.48) GAANPSR1MAPTPOLBLMNA
SCHEMBL8379697 0.74 MAPT (0.43) GAANPSR1MAPTPOLBLMNA
SCHEMBL8379704 0.74 MAPT (0.43) GAANPSR1MAPTPOLBLMNA
SCHEMBL276630 0.74 TRPA1 (0.43) NPSR1MAPTPOLBLMNAALDH1A1
SCHEMBL27612719 0.73 GAA (0.55) GAANPSR1MAPTPOLBLMNA
SCHEMBL16035326 0.73 NPSR1 (0.66) GAANPSR1MAPTPOLBLMNA
SCHEMBL16332823 0.72 GAA (0.57) GAANPSR1MAPTPOLBLMNA
SCHEMBL2852255 0.72 HDAC3 (0.48) MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 GAA 3803/4885NPSR1 102/4885MAPT 4267/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 GAA 3803/4885NPSR1 102/4885MAPT 4267/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 GAA 3821/4885NPSR1 366/4885MAPT 4569/4885

“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.