SCHEMBL22261504

SCHEMBL22261504

COC(=O)c1cccc(-c2ccccc2)c1CSc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ SLC6A3 Q01959 5/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ SLC6A2 P23975 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SLC37A4 O43826 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TOP2A P11388 1/20 0.42
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41

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
SCHEMBL22261534 0.84 HNF4A (0.51) L3MBTL1MAPTHTTSLC37A4CYP1A2
SCHEMBL22261535 0.83 L3MBTL1 (0.44) L3MBTL1MAPTSLC37A4PKMKDM4E
SCHEMBL28550466 0.81 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2MAPTHTT
SCHEMBL22261474 0.80 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2MAPTHTT
SCHEMBL13823879 0.80 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2MAPTHTT
SCHEMBL12553233 0.77 L3MBTL1 (0.46) L3MBTL1SLC37A4PKMKDM4ECYP1A2
SCHEMBL11274332 0.77 L3MBTL1 (0.58) L3MBTL1PKMKDM4ECYP1A2CYP3A4
SCHEMBL31123647 0.77 L3MBTL1 (0.58) L3MBTL1PKMKDM4ECYP1A2CYP3A4
SCHEMBL30872883 0.76 SLC6A3 (0.50) L3MBTL1SLC6A3SLC6A4SLC6A2MAPT
SCHEMBL12546416 0.76 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109721615-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-12-29 — — CN disclosed
US-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-09-10 — — US disclosed
EP-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 — — 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 (1 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-20200283454-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF RTF2, POLRMT, RTF1 L3MBTL1 4153/4885SLC6A3 4619/4885SLC6A4 3744/4885

“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.

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