SCHEMBL3835540

SCHEMBL3835540

COC(OC)c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BCHE P06276 1/20 0.41
BUB1 O43683 1/20 0.38
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TNK2 Q07912 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABCB1 P08183 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR2 Q92731 1/20 0.33
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL12414130 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL6589704 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL8079706 0.76 HSP90AA1 (0.45) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL4916320 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL15417736 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL163016 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL8293842 0.74 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL24914436 0.73 HSP90AA1 (0.52) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL8264796 0.73 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1
SCHEMBL19204908 0.73 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1PIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
EP-3765454-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF Universita' Degli Studi di Siena (IT) 2021-01-20 EP disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP 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 (2 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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 HSP90AA1 1369/4885HSP90AB1 1324/4885BCHE 2325/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 HSP90AA1 1369/4885HSP90AB1 1324/4885BCHE 2325/4885

“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.