Sugi Predict

Sugi Predict / Compounds / SCHEMBL545248

SCHEMBL545248

SCHEMBL545248

C1=CC(COCc2ccccc2)C=C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ BCHE P06276 2/20 0.41
▸ ACHE P22303 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ AGXT P21549 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL22091837 0.80 TSHR (0.64) TSHRTAAR1LMNABCHEACHE
SCHEMBL11840000 0.74 TSHR (0.45) TSHRTAAR1LMNABCHEACHE
SCHEMBL2386075 0.74 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL13941992 0.74 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL24215035 0.74 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL24572017 0.74 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL9679098 0.74 TSHR (0.61) TSHRTAAR1LMNABCHEACHE
SCHEMBL5311581 0.74 TSHR (1.00) TSHRLMNAIDO1AGXTPOLB
SCHEMBL27380 0.74 TSHR (1.00) TSHRLMNAIDO1AGXTPOLB
Benzene SCHEMBL27997624 0.74 TSHR (1.00) TSHRLMNAIDO1AGXTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307419-A1 CONFORMATIONALLY-CONSTRAINED INHIBITORS OF 3C OR 3C-LIKE PROTEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-09-19 — — US disclosed
CN-114174245-B Synthesis method of non-racemized cyclohexene 巴斯夫公司 2024-05-10 — — CN disclosed
US-20230407285-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF DOGMA THERAPEUTICS, INC. 2023-12-21 — — US disclosed
US-11603523-B2 PCSK9 inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2023-03-14 — — US disclosed
WO-2022165220-A1 CONFORMATIONALLY-CONSTRAINED INHIBITORS OF 3C OR 3C-LIKE PROTEASES KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-08-04 — — WO disclosed
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2022-07-14 — — US disclosed
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2022-07-14 — — US disclosed
US-11248001-B2 PCSK9 inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2022-02-15 — — US disclosed
US-11248001-B2 PCSK9 inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2022-02-15 — — US disclosed
EP-3911640-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2021-11-24 — — EP disclosed
EP-1481268-A2 NANOFILM AND MEMBRANE COMPOSITIONS Covalent Partners, LLC (US) 2004-12-01 — — EP disclosed
US-20040106741-A1 Nanofilm compositions with polymeric components COVALENT PARTNERS LLC 2004-06-03 — — US disclosed
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon COVALENT PARTNERS, LLC. 2004-02-19 — — US disclosed
US-20030199688-A1 Macrocyclic module compositions COVALENT PARTNERS, LLC 2003-10-23 — — US disclosed
WO-2003067286-A2 NANOFILM AND MEMBRANE COMPOSITIONS COVALENT PARTNERS, LLC (US) 2003-08-14 — — WO disclosed
WO-2003066646-A2 MACROCYCLIC MODULE COMPOSITIONS COVALENT PARTNERS, LLC (US) 2003-08-14 — — WO disclosed
US-4837344-A Optically active bicyclo carboxylic acids and their derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-06-06 — — US disclosed
EP-0249953-A1 Optically active bicyclo carboxylic acids and their derivatives NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1987-12-23 — — EP disclosed
US-3953470-A Substituted prostaglandin derivatives SYNTEX (U.S.A.) INC. (US) 1976-04-27 — — US disclosed
US-3931297-A 10-Hydroxy PGC compounds SYNTEX (U.S.A.) INC. (US) 1976-01-06 — — 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-11248001-B2 PCSK9 inhibitors and methods of use thereof PCSK9, PCSK7, PCSK6 TSHR 3215/4885TAAR1 4798/4885LMNA 705/4885
US-20030199688-A1 Macrocyclic module compositions CYCS, IMMT, INTS9 TSHR 4517/4885TAAR1 4447/4885LMNA 489/4885
US-20240307419-A1 CONFORMATIONALLY-CONSTRAINED INHIBITORS OF 3C OR 3C-LIKE PROTEASES GTF3C3, GTF3C4, GTF3C2 TSHR 3374/4885TAAR1 4670/4885LMNA 1839/4885
US-20230407285-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 TSHR 2983/4885TAAR1 4585/4885LMNA 722/4885
US-11603523-B2 PCSK9 inhibitors and methods of use thereof PCSK9, PCSK7, PCSK6 TSHR 2983/4885TAAR1 4585/4885LMNA 722/4885
US-20040034223-A1 Amphiphilic molecular modules and constructs based thereon ANXA6, THEM6, ANXA5 TSHR 4398/4885TAAR1 3408/4885LMNA 1456/4885
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 TSHR 3197/4885TAAR1 4814/4885LMNA 642/4885

“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.