Sugi Predict

Sugi Predict / Compounds / SCHEMBL629532

SCHEMBL629532

SCHEMBL629532

CC(C)(C)OC(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 8/20 0.46
▸ CTSL P07711 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ACE P12821 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KLK7 P49862 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ AGTR2 P50052 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
SCHEMBL12684557 1.00 FKBP1A (0.46) FKBP1ACTSLTSHRKMT2AACE
SCHEMBL15457809 1.00 FKBP1A (0.46) FKBP1ACTSLTSHRKMT2AACE
SCHEMBL19920770 0.90 CTSL (0.45) FKBP1ACTSLKLK7JAK2JAK1
SCHEMBL20253017 0.90 CTSL (0.45) FKBP1ACTSLKLK7JAK2JAK1
SCHEMBL12480463 0.90 CTSL (0.45) FKBP1ACTSLKLK7JAK2JAK1
SCHEMBL13967461 0.90 CTSL (0.45) FKBP1ACTSLKLK7JAK2JAK1
SCHEMBL19592045 0.90 CTSL (0.45) FKBP1ACTSLKLK7JAK2JAK1
SCHEMBL30617337 0.90 CTSL (0.45) FKBP1ACTSLKLK7JAK2JAK1
SCHEMBL4802058 0.89 HTR2C (0.46) FKBP1ACTSLKMT2AACEMEN1
SCHEMBL9877388 0.89 FKBP1A (0.49) FKBP1ATSHRKMT2AACEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 — — EP disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 — — US disclosed
US-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — EP disclosed
US-10807990-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-20 — — US disclosed
US-10800789-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2020-10-13 — — US disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
US-20200071337-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 — — US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 — — US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 — — US disclosed
WO-2010120935-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-10-21 — — WO disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 — — US disclosed
US-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 — — US disclosed
US-4999370-A ANXIOLYTIC AGENTS, INHIBITORS OF ANGIOTENSIN CONVERTING ENZYME, NOOTROPIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 — — US disclosed
US-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 — — 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 (9 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FKBP1A 2526/4885CTSL 807/4885TSHR 4834/4885
US-20200071337-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 FKBP1A 3787/4885CTSL 878/4885TSHR 4860/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FKBP1A 2526/4885CTSL 807/4885TSHR 4834/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FKBP1A 2526/4885CTSL 807/4885TSHR 4834/4885
US-10807990-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 FKBP1A 3787/4885CTSL 878/4885TSHR 4860/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 FKBP1A 2544/4885CTSL 868/4885TSHR 4853/4885
US-10800789-B2 Antiviral compounds MAVS, EIF2AK2, SARS1 FKBP1A 3787/4885CTSL 878/4885TSHR 4860/4885
US-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 FKBP1A 3787/4885CTSL 878/4885TSHR 4860/4885
US-20110009461-A1 2-AZA-BICYCLO[3.3.0]OCTANE DERIVATIVES HCRTR2, HCRTR1, NPY2R FKBP1A 706/4885CTSL 3254/4885TSHR 352/4885

“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.