Sugi Predict

Sugi Predict / Compounds / SCHEMBL401715

SCHEMBL401715

SCHEMBL401715

CCOC(=O)CC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CTNNB1 P35222 3/20 0.48
▸ WNT3A P56704 3/20 0.48
▸ KCNK3 O14649 1/20 0.47
▸ KCNK9 Q9NPC2 1/20 0.47
▸ EPHX2 P34913 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ F2R P25116 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL3549199 0.86 LMNA (0.53) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL29775613 0.85 LMNA (0.46) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL1738337 0.85 LMNA (0.46) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL1994129 0.81 TSHR (0.67) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL27795044 0.80 NPC1 (0.48) GAAKDM4EALDH1A1
SCHEMBL8439499 0.80 LMNA (0.53) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL6888758 0.80 TSHR (0.50) GAATSHRKDM4EALDH1A1KMT2A
SCHEMBL29692244 0.80 PTPN1 (0.56) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL312900 0.80 PTPN1 (0.56) LMNAGAATSHRKDM4EALDH1A1
SCHEMBL406193 0.79 ERCC5 (0.59) GAATSHRKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 — — US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 — — EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 — — US disclosed
CN-103554111-A Aromatic heterocyclic pyridine derivatives and analogs, and preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2014-02-05 — — CN disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 — — US disclosed
CN-101671336-B Aromatic heterocyclic pyrimidine derivative and analogue, preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2013-11-13 — — CN disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 — — CN disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 — — WO disclosed
CN-101671336-A Aromatic heterocyclic pyrimidine derivative and analogue, preparation method and application thereof LIAONING LIFENG SCIENCE AND TE 2010-03-17 — — CN disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 — — US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 — — US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 — — WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 — — US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 — — 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 (5 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 LMNA 3047/4885GAA 1712/4885CTNNB1 664/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4783/4885GAA 3273/4885CTNNB1 1547/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 LMNA 4783/4885GAA 3273/4885CTNNB1 1547/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 LMNA 4454/4885GAA 1418/4885CTNNB1 1165/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 LMNA 2019/4885GAA 1693/4885CTNNB1 689/4885

“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.