Sugi Predict

Sugi Predict / Compounds / SCHEMBL2576355

SCHEMBL2576355

SCHEMBL2576355

C=C(C(=O)OC)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41

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
SCHEMBL5057415 0.89 ALDH1A1 (0.46) MAPTCES2CES1ATMKDM4E
SCHEMBL776021 0.83 CES2 (0.50) RAB9ANPC1MEN1MAPK1KMT2A
SCHEMBL11469358 0.83 NPC1 (0.41) RAB9ANPC1MEN1MAPK1KMT2A
SCHEMBL9299063 0.82 MAPT (0.48) RAB9ANPC1MAPK1KMT2AMAPT
SCHEMBL4910303 0.82 CA1 (0.57) RAB9ANPC1MEN1MAPK1KMT2A
Butane SCHEMBL7720074 0.82 TDP1 (0.41) MAPTATMKDM4ECA1CA2
SCHEMBL9300725 0.82 TDP1 (0.57) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27468651 0.82 CA1 (0.57) MAPTHTTCA1CA2GAA
SCHEMBL4910445 0.80 CA1 (0.59) RAB9ANPC1MAPTCES2CES1
SCHEMBL8894645 0.80 CES2 (0.46) RAB9ANPC1MEN1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107236233-A A kind of high-temperature-resistant antistatic lucite and preparation method thereof 佛山市正略信息科技有限公司 2017-10-10 — — CN claimed
CN-101544669-B Phenyl cyanoacrylate derivatives containing alpha-amino phosphonate ester and preparation method and application thereof UNIV GUIZHOU 2011-09-07 — — CN claimed
CN-101544669-A Phenyl cyanoacrylate derivatives containing alpha-amino phosphonate ester and preparation method and application thereof UNIV GUIZHOU 2009-09-30 — — CN claimed
US-12371428-B2 Pyridone compounds and methods of use EXELIXIS, INC. (US) 2025-07-29 — — US disclosed
US-20220315579-A1 PYRIDONE COMPOUNDS AND METHODS OF USE EXELIXIS, INC. 2022-10-06 — — US disclosed
EP-4034532-A1 PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE Exelixis, Inc. (US) 2022-08-03 — — EP disclosed
WO-2021062245-A1 PYRIDONE COMPOUNDS AND METHODS OF USE IN THE MODULATION OF A PROTEIN KINASE EXELIXIS, INC. (US) 2021-04-01 — — WO disclosed
CN-106751743-A A kind of wear resistant corrosion resistant lucite and preparation method thereof 安徽亚克力实业有限公司 2017-05-31 — — CN disclosed
US-9303040-B2 Substituted piperazines as AKT inhibitors ARRAY BIOPHARMA INC. (US) 2016-04-05 — — US disclosed
CN-101516891-B Dihydrothieno pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2013-06-05 — — CN disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 — — US disclosed
US-6310208-B1 Serotonin receptor binding benzo[e]isoindoles and benzo[h]isoquinolines HOFFMANN-LA ROCHE INC. 2001-10-30 — — US disclosed
CN-1243510-A Tricyclicbenzo [3] isoindole and benzo (h) isoquinoline HOFFMANN LA ROCHE (CH) 2000-02-02 — — CN disclosed
EP-0958285-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F.HOFFMANN-LA ROCHE AG (CH) 1999-11-24 — — EP disclosed
US-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 — — US disclosed
CN-1040747-C N-substituting group-4-substituted benzyl-5-alkyl-5-substituted benzyl-pyrrolidone-2, and its intermediate, its synthetic method and its appliance KUNMING PLANT INST CHINESE ACA (CN) 1998-11-18 — — CN disclosed
EP-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 — — EP disclosed
WO-1998030546-A1 TRICYCLIC BENZO[e]ISOINDOLES AND BENZO[h]ISOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 1998-07-16 — — WO disclosed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 — — WO disclosed
CN-1120036-A N-substituting group-4-substituted benzyl-5-alkyl-5-substituted benzyl-pyrrolidone-2, and its intermediate, its synthetic method and its appliance KUNMING PLANT INST CHINESE ACA (CN) 1996-04-10 — — CN 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-12371428-B2 Pyridone compounds and methods of use PDXK, PLK2, MAP4K2 RAB9A 3666/4885NPC1 4365/4885MEN1 3040/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA RAB9A 1589/4885NPC1 1779/4885MEN1 3082/4885
US-20220315579-A1 PYRIDONE COMPOUNDS AND METHODS OF USE PDXK, PLK2, MAP4K2 RAB9A 3666/4885NPC1 4365/4885MEN1 3040/4885

“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.