Sugi Predict

Sugi Predict / Compounds / SCHEMBL2461044

SCHEMBL2461044

SCHEMBL2461044

CC(C)(C)OC(=O)n1cc(C=O)c2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HTR6 P50406 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ AR P10275 1/20 0.38
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRA4 P48169 1/20 0.36
▸ GABRA6 Q16445 1/20 0.36
▸ PLK1 P53350 2/20 0.36
▸ BUB1 O43683 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ PIM1 P11309 1/20 0.34

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
SCHEMBL15902183 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL29443975 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL15902182 0.87 HTR6 (0.46) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL29443980 0.87 HTR6 (0.46) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL16729466 0.85 MAP2K4 (0.44) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL2454469 0.85 HTR6 (0.44) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL7715925 0.85 HTR6 (0.44) ALDH1A1KDM4EHTR6MEN1KMT2A
SCHEMBL4376044 0.84 ALDH1A1 (0.48) ALDH1A1HTR6MEN1KMT2AACHE
SCHEMBL29443995 0.84 ALDH1A1 (0.48) ALDH1A1HTR6MEN1KMT2AACHE
SCHEMBL29950705 0.83 HTR6 (0.45) ALDH1A1KDM4EHTR6MEN1KMT2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409542-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2024-12-12 — — US disclosed
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 — — US disclosed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 — — CN disclosed
CN-113480537-B Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2022-05-10 — — CN disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 — — US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 — — US disclosed
CN-113480537-A Quinazolinone [2,3-a ] carboline derivative and preparation method and application thereof 广西师范大学 2021-10-08 — — CN disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 — — CN disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 — — EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 — — US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 — — US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 — — EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 — — US disclosed
EP-2010535-B1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2012-07-11 — — EP disclosed
US-8026244-B2 Thioxanthine derivatives and their use as inhibitors of MPO ASTRAZENECA AB (SE) 2011-09-27 — — US disclosed
CN-101466712-A Thioxanthine derivatives and their use as inhibitors of mpo ASTRAZENECA AB (SE) 2009-06-24 — — CN disclosed
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO ASTRAZENECA AB (SE) 2009-06-11 — — US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 — — EP disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 — — 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 (8 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-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885KDM4E 1372/4885HTR6 4427/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885KDM4E 1372/4885HTR6 4427/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885KDM4E 1372/4885HTR6 4427/4885
US-20240409542-A1 NOVEL COMPOUNDS CD47, GPR119, LRBA ALDH1A1 291/4885KDM4E 1051/4885HTR6 4235/4885
US-20090149475-A1 Thioxanthine Derivatives and Their Use as Inhibitors of MPO MPO, XDH, EPX ALDH1A1 309/4885KDM4E 3606/4885HTR6 3133/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885KDM4E 1372/4885HTR6 4427/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885KDM4E 1372/4885HTR6 4427/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 4277/4885KDM4E 1372/4885HTR6 4427/4885

“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.