SCHEMBL21750017

SCHEMBL21750017

CCOc1cc(/C=C/S(C)(=O)=O)ncc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 2/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A1 P04798 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ TUBB1 Q9H4B7 6/20 0.35
▸ TUBB4A P04350 4/20 0.35
▸ TUBB P07437 4/20 0.35
▸ TUBA3C P0DPH7 4/20 0.35
▸ TUBA1B P68363 4/20 0.35

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
SCHEMBL21750019 1.00 NFE2L2 (0.38) NFE2L2PDE4APDE4BPDE4CPDE4D
SCHEMBL29861038 0.79 LMNA (0.45) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL21750003 0.79 LMNA (0.45) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL17299112 0.75 TUBB1 (0.53) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL15198842 0.75 TUBB1 (0.53) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL28213558 0.75 TUBB1 (0.53) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL21761474 0.75 GAA (0.41) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL21761652 0.74 TUBB1 (0.40) NFE2L2MAPTLMNAKDM4ECYP1A1
SCHEMBL21750040 0.74 TUBB1 (0.40) NFE2L2MAPTLMNAKDM4ECYP1A1
SCHEMBL29860581 0.74 TUBB1 (0.40) NFE2L2MAPTLMNAKDM4ECYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-04-18 — — US disclosed
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 — — US disclosed
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 — — US disclosed
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 — — US disclosed
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 — — US disclosed
EP-3590924-B1 NOVEL ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-27 — — EP disclosed
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2020-02-27 — — US disclosed
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2020-02-27 — — 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 (4 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-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C NFE2L2 2439/4885PDE4A 1/4885PDE4B 2/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C NFE2L2 2849/4885PDE4A 1/4885PDE4B 2/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C NFE2L2 2439/4885PDE4A 1/4885PDE4B 2/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C NFE2L2 2428/4885PDE4A 1/4885PDE4B 2/4885

“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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