SCHEMBL25320712

SCHEMBL25320712

Cc1ccc(S(=O)(=O)OCC[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
ENPP3 O14638 2/20 0.36
ENPP1 P22413 2/20 0.36
ENPP2 Q13822 2/20 0.36
CCR2 P41597 1/20 0.36
STAT3 P40763 1/20 0.35
RORC P51449 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
KDM1A O60341 1/20 0.35
PSMD10 O75832 1/20 0.35
MMP13 P45452 1/20 0.35
BTK Q06187 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
SCHEMBL25318976 0.98 MAOA (0.42) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL25322036 0.94 MAOB (0.43) MAOAMAOBKMT2AENPP3ENPP1
SCHEMBL6639675 0.89 MAOA (0.43) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL14368963 0.87 MAOA (0.43) MAOAMAOBKMT2AL3MBTL1POLB
SCHEMBL25322501 0.85 MAOB (0.42) MAOAMAOBKMT2ASTAT3RORC
SCHEMBL25318764 0.82 MAOB (0.45) MAOAMAOBKMT2AL3MBTL1ENPP3
SCHEMBL28410550 0.81 DRD2 (0.47) MAOAMAOBKMT2AL3MBTL1ADORA3
SCHEMBL23331070 0.79 MAOB (0.42) MAOAMAOBKMT2AL3MBTL1STAT3
SCHEMBL4401404 0.78 TSHR (0.48) MAOAMAOBKMT2APOLBADORA3
SCHEMBL29013154 0.76 GPR119 (0.43) KMT2AMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 US disclosed
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 EP disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 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 (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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 MAOA 3854/4885MAOB 3485/4885KMT2A 821/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 MAOA 3854/4885MAOB 3485/4885KMT2A 821/4885

“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.