Sugi Predict

Sugi Predict / Compounds / SCHEMBL445392

SCHEMBL445392

SCHEMBL445392

CC(C)(C)OC(=O)n1cccc1C[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ BUB1 O43683 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.38
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ ABCB1 P08183 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ TNK2 Q07912 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ NR1H2 P55055 1/20 0.33

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
SCHEMBL445394 0.87 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL2628927 0.87 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL19974442 0.85 HSP90AA1 (0.49) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL14949338 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL23303726 0.83 HSP90AA1 (0.41) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL6951565 0.80 HSP90AA1 (0.40) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL13180192 0.79 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL2466359 0.79 HSP90AA1 (0.39) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL8293842 0.79 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1
SCHEMBL386910 0.79 L3MBTL1 (0.40) HSP90AA1HSP90AB1BCHEBUB1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 — — EP claimed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 — — US claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 — — EP claimed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 — — US claimed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 — — US claimed
US-7307088-B2 Substituted anthranilic amide derivatives and methods of use AMGEN INC. (US) 2007-12-11 — — US claimed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 — — EP claimed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 — — US claimed
US-7101868-B2 Substituted arylamine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US claimed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 — — EP claimed
CN-1538836-A Substituted amine derivatives and method of use ��������ķ������ 2004-10-20 — — CN claimed
US-20040204437-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2004-10-14 — — US claimed
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AMGEN INC. 2004-05-06 — — US claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 — — EP claimed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 — — EP claimed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 — — US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US claimed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 — — US claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 — — WO claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 — — WO claimed

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-20040204437-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HSP90AA1 2171/4885HSP90AB1 1496/4885BCHE 1220/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO HSP90AA1 3119/4885HSP90AB1 2551/4885BCHE 875/4885
US-20040087568-A1 Substituted anthranilic amide derivatives and methods of use AADAC, ASPH, EGLN3 HSP90AA1 1004/4885HSP90AB1 976/4885BCHE 2603/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR HSP90AA1 2171/4885HSP90AB1 1496/4885BCHE 1220/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 HSP90AA1 2015/4885HSP90AB1 1483/4885BCHE 419/4885

“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.