SCHEMBL25318976

SCHEMBL25318976

Cc1ccc(S(=O)(=O)OCC[C@H]2CCCC[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
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
ENPP2 Q13822 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
CCR2 P41597 1/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.36
STAT3 P40763 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL25320712 0.98 MAOA (0.42) MAOAMAOBENPP3ENPP1ENPP2
SCHEMBL25322036 0.94 MAOB (0.43) MAOAMAOBENPP3ENPP1ENPP2
SCHEMBL14368963 0.89 MAOA (0.43) MAOAMAOBENPP3ENPP1ENPP2
SCHEMBL6639675 0.87 MAOA (0.43) MAOAMAOBENPP3ENPP1ENPP2
SCHEMBL25322501 0.85 MAOB (0.42) MAOAMAOBALDH1A1STAT3RORC
SCHEMBL25318764 0.82 MAOB (0.45) MAOAMAOBENPP3ENPP1ENPP2
SCHEMBL28410550 0.81 DRD2 (0.47) MAOAMAOBADORA3ALDH1A1HPGD
SCHEMBL23331070 0.79 MAOB (0.42) MAOAMAOBALDH1A1STAT3HPGD
SCHEMBL4367542 0.78 ALDH1A1 (0.50) MAOAMAOBADORA3POLBALDH1A1
SCHEMBL9116923 0.78 ALDH1A1 (0.50) MAOAMAOBADORA3POLBALDH1A1

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 3485/4885ENPP3 2211/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 MAOA 3854/4885MAOB 3485/4885ENPP3 2211/4885

“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.