Sugi Predict

Sugi Predict / Compounds / SCHEMBL516719

SCHEMBL516719

SCHEMBL516719

CCOC(=O)C1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ OPRM1 P35372 4/20 0.40
▸ OPRD1 P41143 3/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL24719169 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL30829119 0.84 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL1954157 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL1951388 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL1951387 0.83 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL1954025 0.81 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL517012 0.81 L3MBTL1 (0.50) L3MBTL1ALDH1A1TSHRKDM4EGAA
SCHEMBL517790 0.80 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL1282363 0.77 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPK1TSHRKDM4E
SCHEMBL24719085 0.77 L3MBTL1 (0.67) L3MBTL1ALDH1A1MAPK1TSHRKDM4E

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
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 — — CN disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 — — US disclosed
EP-4056568-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-14 — — EP disclosed
CN-113166135-A Benzothiophene derivative modulators, methods of making, and uses thereof 上海翰森生物医药科技有限公司 2021-07-23 — — CN disclosed
CN-112778183-A Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2021-05-11 — — CN disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 — — US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 — — EP disclosed
US-9789118-B2 Bicyclic acetyl-CoA carboxylase inhibitors and uses thereof NOVARTIS AG (CH) 2017-10-17 — — US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 — — US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — US disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — US disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 — — WO disclosed
WO-2012013716-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS NOVARTIS AG (CH) 2012-02-02 — — WO disclosed
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2012-02-02 — — US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 — — US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 — — US disclosed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 — — US disclosed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 — — 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS L3MBTL1 3411/4885ALDH1A1 2614/4885MAPK1 3226/4885
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S L3MBTL1 2341/4885ALDH1A1 2194/4885MAPK1 3589/4885
US-20120028969-A1 BICYCLIC ACETYL-COA CARBOXYLASE INHIBITORS AND USES THEREOF ACACA, ACACB, COASY L3MBTL1 4449/4885ALDH1A1 215/4885MAPK1 3157/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 L3MBTL1 4127/4885ALDH1A1 3177/4885MAPK1 1209/4885
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF CYP3A5, CYP11B2, CNR2 L3MBTL1 4883/4885ALDH1A1 335/4885MAPK1 2955/4885

“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.