SCHEMBL618834

SCHEMBL618834

CC(C)(C)C(=O)CC(=O)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
HSD11B1 P28845 2/20 0.58
EPHX2 P34913 6/20 0.54
EPHX1 P07099 1/20 0.51
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL13260289 0.80 HSD11B1 (0.42) L3MBTL1HSD11B1EPHX2EPHX1
SCHEMBL1016262 0.79 L3MBTL1 (0.65) L3MBTL1HSD11B1EPHX2EPHX1HSD17B10
SCHEMBL12070487 0.77 HSD11B1 (0.65) L3MBTL1HSD11B1EPHX2EPHX1HSD17B10
SCHEMBL13702321 0.77 L3MBTL1 (0.72) L3MBTL1HSD11B1EPHX2HSD17B10ALDH1A1
SCHEMBL13701832 0.77 EPHX2 (0.61) L3MBTL1HSD11B1EPHX2EPHX1HSD17B10
SCHEMBL12968364 0.77 L3MBTL1 (0.72) L3MBTL1HSD11B1EPHX2HSD17B10ALDH1A1
SCHEMBL1402737 0.76 L3MBTL1 (0.66) L3MBTL1HSD11B1EPHX2HSD17B10ALDH1A1
SCHEMBL13760993 0.76 HSD11B1 (0.38) L3MBTL1HSD11B1EPHX2EPHX1HSD17B10
SCHEMBL15224285 0.76 L3MBTL1 (0.59) L3MBTL1HSD11B1EPHX2HSD17B10ALDH1A1
SCHEMBL1402900 0.75 L3MBTL1 (0.59) L3MBTL1HSD11B1EPHX2EPHX1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
CN-101668524-B Pyrazole derivatives as 11-beta-HSD 1 inhibitors ASTRAZENECA AB 2012-10-24 CN disclosed
CN-102503891-A Pyrazole derivatives as 11-beta-hsd1 inhibitors ASTRAZENECA AB 2012-06-20 CN disclosed
US-20120041211-A1 NOVEL PROCESS FOR PREPARING CARBOXY-CONTAINING PYRAZOLEAMIDO COMPOUNDS 597 ASTRAZENECA INDIA PRIVATE LIMITED (IN) 2012-02-16 US disclosed
US-20120041211-A1 NOVEL PROCESS FOR PREPARING CARBOXY-CONTAINING PYRAZOLEAMIDO COMPOUNDS 597 ASTRAZENECA INDIA PRIVATE LIMITED (IN) 2012-02-16 US disclosed
US-20120041211-A1 NOVEL PROCESS FOR PREPARING CARBOXY-CONTAINING PYRAZOLEAMIDO COMPOUNDS 597 ASTRAZENECA INDIA PRIVATE LIMITED (IN) 2012-02-16 US disclosed
CN-102300851-A Novel process for preparing carboxy-containing pyrazoleamido compounds 597 2011-12-28 CN disclosed
EP-2391607-A1 NOVEL PROCESS FOR PREPARING CARBOXY-CONTAINING PYRAZOLEAMIDO COMPOUNDS 597 AstraZeneca AB (SE) 2011-12-07 EP disclosed
US-20090221660-A1 NOVEL CRYSTALLINE FORMS OF 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID 471 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221660-A1 NOVEL CRYSTALLINE FORMS OF 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID 471 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221660-A1 NOVEL CRYSTALLINE FORMS OF 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID 471 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
WO-2009098501-A1 NOVEL CRYSTALLINE FORMS OF 4- [4- (2-ADAMANTYLCARBAM0YL) -5-TERT-BUTYL-PYRAZOL-1-YL] BENZOIC ACID ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098501-A1 NOVEL CRYSTALLINE FORMS OF 4- [4- (2-ADAMANTYLCARBAM0YL) -5-TERT-BUTYL-PYRAZOL-1-YL] BENZOIC ACID ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009060232-A1 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID - 465 ASTRAZENECA AB (SE) 2009-05-14 WO disclosed
WO-2009060232-A1 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID - 465 ASTRAZENECA AB (SE) 2009-05-14 WO disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 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 (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-20090221660-A1 NOVEL CRYSTALLINE FORMS OF 4-[4-(2-ADAMANTYLCARBAMOYL)-5-TERT-BUTYL-PYRAZOL-1-YL]BENZOIC ACID 471 HSD11B1, SRD5A1, CYP4A11 L3MBTL1 4739/4885HSD11B1 1/4885EPHX2 1495/4885
US-20120041211-A1 NOVEL PROCESS FOR PREPARING CARBOXY-CONTAINING PYRAZOLEAMIDO COMPOUNDS 597 CYP3A7, CYP2C9, CYP2A7 L3MBTL1 4024/4885HSD11B1 3393/4885EPHX2 460/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 L3MBTL1 4595/4885HSD11B1 1/4885EPHX2 1955/4885

“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.