Sugi Predict

Sugi Predict / Compounds / SCHEMBL2512920

SCHEMBL2512920

SCHEMBL2512920

O[C@H]1CC=C[C@@H]1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GBA1 P04062 2/20 0.36
▸ UGCG Q16739 2/20 0.36
▸ GBA2 Q9HCG7 2/20 0.36

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
SCHEMBL2512922 1.00 TSHR (0.45) TSHRPOLBTAAR1HTTLMNA
SCHEMBL865302 1.00 TSHR (0.45) TSHRPOLBTAAR1HTTLMNA
SCHEMBL600300 0.79 TSHR (0.52) TSHRPOLBTAAR1HTTLMNA
SCHEMBL9416308 0.79 TSHR (0.44) TSHRPOLBTAAR1HTTLMNA
SCHEMBL22241751 0.79 BCHE (0.51) TSHRPOLBTAAR1HTTLMNA
SCHEMBL9416306 0.79 TSHR (0.44) TSHRPOLBTAAR1HTTLMNA
SCHEMBL9416309 0.79 TSHR (0.44) TSHRPOLBTAAR1HTTLMNA
SCHEMBL22091837 0.76 TSHR (0.64) TSHRPOLBTAAR1HTTLMNA
SCHEMBL2933597 0.74 TSHR (0.50) TSHRTAAR1LMNAPDE4DBCHE
SCHEMBL880187 0.74 TSHR (0.50) TSHRTAAR1LMNAPDE4DBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107188786-B Preparation method of optically pure cyclopentenol as medical intermediate 湖北远大生命科学与技术有限责任公司 2021-10-22 — — CN claimed
CN-211847754-U Crude entecavir intermediate-7 column chromatography pretreatment line 济南爱思医药科技有限公司 2020-11-03 — — CN claimed
US-12054512-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-08-06 — — US disclosed
CN-115433188-B Preparation method of entecavir 苏州东瑞制药有限公司 2024-07-12 — — CN disclosed
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-27 — — US disclosed
US-20230027361-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2023-01-26 — — US disclosed
US-20230027361-A1 METTL3 MODULATORS ACCENT THERAPEUTICS, INC. (US) 2023-01-26 — — US disclosed
US-11542293-B2 Sting modulator compounds, and methods of making and using TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-03 — — US disclosed
CN-115433188-A Preparation method of entecavir 苏州东瑞制药有限公司 2022-12-06 — — CN disclosed
CN-115298179-A METTL3 modulators 埃克森特治疗公司 2022-11-04 — — CN disclosed
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2022-07-14 — — US disclosed
EP-2752422-A1 Stereoselective synthesis of phosphorus containing actives Gilead Pharmasset LLC (US) 2014-07-09 — — EP disclosed
US-20130217879-A1 ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF AUSUN PHARMATECH. CO., LTD. (CN) 2013-08-22 — — US disclosed
US-20130217879-A1 ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF AUSUN PHARMATECH. CO., LTD. (CN) 2013-08-22 — — US disclosed
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 — — US disclosed
EP-0481754-B1 Hydroxymethyl(methylenecyclopentyl)Purines and Pyrimidines SQUIBB & SONS INC (US) 1997-08-20 — — EP disclosed
US-5340816-A Viricides; administering to treat herpes simplex virus, varicella zoster virus and human cytomegalovirus infections E. R. SQUIBB & SONS, INC. (US) 1994-08-23 — — US disclosed
US-5206244-A Viricides E. R. SQUIBB & SONS, INC. (US) 1993-04-27 — — US disclosed
EP-0481754-A2 Hydroxymethyl(methylenecyclopentyl)Purines and Pyrimidines E.R. Squibb & Sons, Inc. (US) 1992-04-22 — — EP disclosed
US-4198430-A ANTIULCER AND ANTIASTHMATIC AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1980-04-15 — — 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 (7 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-20130217879-A1 ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ENTPD5, ENTPD8, ENTPD1 TSHR 4524/4885POLB 123/4885TAAR1 4388/4885
US-11542293-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS TSHR 3136/4885POLB 906/4885TAAR1 1748/4885
US-20230027361-A1 METTL3 MODULATORS METTL3, METTL16, METTL14 TSHR 1492/4885POLB 2496/4885TAAR1 2814/4885
US-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PPA1, ENPP1, ITPA TSHR 3793/4885POLB 515/4885TAAR1 4552/4885
US-20240209017-A1 STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING STING1, CGAS, MAVS TSHR 3136/4885POLB 906/4885TAAR1 1748/4885
US-12054512-B2 Sting modulator compounds, and methods of making and using STING1, CGAS, MAVS TSHR 3136/4885POLB 906/4885TAAR1 1748/4885
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 TSHR 3197/4885POLB 4345/4885TAAR1 4814/4885

“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.