SCHEMBL3075763

SCHEMBL3075763

COC(=O)c1cc(CO)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
CA14 Q9ULX7 4/20 0.52
CA3 P07451 2/20 0.52
CA6 P23280 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA5A P35218 1/20 0.52
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 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
SCHEMBL17706016 0.87 ALDH1A1 (0.67) CA12CA2CA7CA9CA14
SCHEMBL15999757 0.87 ALDH1A1 (0.53) CA12CA2CA7CA9CA14
SCHEMBL23927644 0.86 CYP4A11 (0.55) CA12CA2CA7CA9CA14
SCHEMBL498143 0.86 CA12 (0.52) CA12CA2CA7CA9CA14
SCHEMBL6477497 0.85 CA12 (0.55) CA12CA2CA7CA9CA14
SCHEMBL14470757 0.84 ALDH1A1 (0.50) CA12CA2CA7CA9CA14
SCHEMBL3060097 0.84 GAA (0.50) CA12CA2CA7CA9CA14
SCHEMBL30949369 0.82 CA12 (0.62) CA12CA2CA7CA9CA14
SCHEMBL8887162 0.82 CA12 (0.62) CA12CA2CA7CA9CA14
SCHEMBL23294027 0.81 ALDH1A1 (0.47) CA12CA2CA7CA9CA14

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113599345-A Almond condensed fat water-tendering and brightening mask and preparation method thereof 张书英 2021-11-05 CN disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-12-22 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY CONNEXIOS LIFE SCIENCES PVT. LIMITED (IN) 2016-05-12 US disclosed
EP-3010903-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
EP-3010905-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-04-27 EP disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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 (4 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-20160368870-A1 OLEFIN SUBSTITUTED OXINDOLES HAVING AMPK ACTIVITY OXER1, AK2, GPR119 CA12 4831/4885CA2 3522/4885CA7 4458/4885
US-20090012055-A1 Organic compounds REN, ACE, ACE2 CA12 3131/4885CA2 294/4885CA7 516/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CA12 3131/4885CA2 294/4885CA7 516/4885
US-20160130226-A1 SPIRO-SUBSTITUTED OXINDOLE DERIVATIVES HAVING AMPK ACTIVITY AK2, PRKAA2, PRKAA1 CA12 4635/4885CA2 2345/4885CA7 3998/4885

“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.