Sugi Predict

Sugi Predict / Compounds / SCHEMBL3396949

SCHEMBL3396949

SCHEMBL3396949

CC(=O)c1cccc2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ BCL2L1 Q07817 1/20 0.47
▸ BAD Q92934 1/20 0.47
▸ CXCR5 P32302 3/20 0.47
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ RXRA P19793 3/20 0.43
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 2/20 0.41
▸ PSMB5 P28074 1/20 0.40
▸ NR1D1 P20393 1/20 0.40

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
SCHEMBL29573534 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDBCL2L1BAD
SCHEMBL31359858 0.96 BCL2L1 (0.52) ALDH1A1KDM4EHPGDBCL2L1BAD
SCHEMBL4570298 0.96 BCL2L1 (0.52) ALDH1A1KDM4EHPGDBCL2L1BAD
SCHEMBL31493172 0.94 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDBCL2L1BAD
SCHEMBL3613341 0.84 CXCR5 (0.53) ALDH1A1KDM4EHPGDBCL2L1BAD
SCHEMBL3613338 0.82 BCL2L1 (0.48) ALDH1A1KDM4EBCL2L1BADCXCR5
SCHEMBL4520679 0.82 BCL2L1 (0.48) ALDH1A1KDM4EBCL2L1BADCXCR5
SCHEMBL24469526 0.81 BCL2L1 (0.47) ALDH1A1KDM4EBCL2L1BADCXCR5
SCHEMBL3434922 0.81 PARP1 (0.51) BCL2L1BADCXCR5MEN1KMT2A
SCHEMBL29351721 0.81 PARP1 (0.51) BCL2L1BADCXCR5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-11-09 — — US disclosed
CN-116507621-A Pyrimidine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-07-28 — — CN disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 — — WO disclosed
WO-2022111498-A1 PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-06-02 — — WO disclosed
WO-2022111498-A1 PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-06-02 — — WO disclosed
WO-2021153794-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE 住友化学株式会社 2021-08-05 — — WO disclosed
EP-2884981-B1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME (US) 2018-06-20 — — EP disclosed
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 — — US disclosed
US-9983475-B2 Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-05-29 — — US disclosed
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-02-15 — — US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
US-7166592-B2 Antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2007-01-23 — — US disclosed
US-7129270-B2 Nonsteroidal antiinflammatory agents Schėring AG (DE) 2006-10-31 — — US disclosed
US-20060040933-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN 2006-02-23 — — US disclosed
US-20040254249-A1 Nonsteroidal antiinflammatory agents JAROCH STEFAN (DE) 2004-12-16 — — US disclosed
US-6777409-B2 FOR THERAPY OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT PATENTS (DE) 2004-08-17 — — US disclosed
CN-1444570-A Non-steroidal anti-inflammatory drugs SCHERING AG (DE) 2003-09-24 — — CN disclosed
EP-1309571-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-14 — — EP disclosed
US-20020077356-A1 Nonsteroidal antiinflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2002-06-20 — — US disclosed
WO-2002010143-A1 NON-STEROIDAL INFLAMMATION INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 — — 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 (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-20020077356-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGES2, PTGES ALDH1A1 205/4885KDM4E 4464/4885HPGD 132/4885
US-20230354808-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QOI FUNGICIDE SQOR, CYC1, COX5B ALDH1A1 4194/4885KDM4E 2719/4885HPGD 2679/4885
US-20060040933-A1 Nonsteroidal antiinflammatory agents PTGES, PTGES2, PTGS1 ALDH1A1 972/4885KDM4E 4617/4885HPGD 90/4885
US-20180044284-A1 NON-IONIC LOW DIFFUSING PHOTO-ACID GENERATORS PLG, PPARG, PKLR ALDH1A1 1281/4885KDM4E 338/4885HPGD 708/4885
US-20040254249-A1 Nonsteroidal antiinflammatory agents PTGS1, PTGER1, PTGES2 ALDH1A1 138/4885KDM4E 4633/4885HPGD 106/4885

“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.