SCHEMBL23701480

SCHEMBL23701480

O=C1C=CC(=O)N1c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.65
ALDH1A1 P00352 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
LMNA P02545 1/20 0.65
CCR6 P51684 1/20 0.65
CACNA1B Q00975 1/20 0.65
APBA1 Q02410 1/20 0.65
APOBEC3G Q9HC16 1/20 0.65
MGLL Q99685 14/20 0.56
FAAH O00519 5/20 0.56
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DDAH1 O94760 1/20 0.43
BCHE P06276 1/20 0.42

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
SCHEMBL23701478 0.84 HSP90AA1 (0.62) HSP90AA1ALDH1A1TDP1LMNACCR6
SCHEMBL19996137 0.80 ALDH1A1 (0.96) HSP90AA1ALDH1A1TDP1LMNACCR6
SCHEMBL23701479 0.79 KDM4E (0.51) HSP90AA1ALDH1A1TDP1LMNACCR6
SCHEMBL31119242 0.79 ALDH1A1 (1.00) HSP90AA1ALDH1A1TDP1LMNACCR6
SCHEMBL3436867 0.77 ALDH1A1 (0.69) HSP90AA1ALDH1A1TDP1LMNACCR6
SCHEMBL20907905 0.77 KDM4E (0.58) HSP90AA1ALDH1A1TDP1LMNACCR6
SCHEMBL5886084 0.75 KDM4E (0.65) ALDH1A1TDP1LMNAFAAHKDM4E
SCHEMBL1235260 0.75 KDM4E (0.59) ALDH1A1MGLLFAAHKDM4E
SCHEMBL4563378 0.75 KDM4E (0.59) ALDH1A1FAAHKDM4E
SCHEMBL10001302 0.75 KDM4E (0.59) ALDH1A1LMNAKDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 US disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 US disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 US disclosed
CN-112243440-A Hexahydroxypyrrolo [3,4-c ] pyrrole derivatives useful as LOX inhibitors 癌症研究协会皇家癌症医院 2021-01-19 CN 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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 HSP90AA1 4856/4885ALDH1A1 765/4885TDP1 1039/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 HSP90AA1 4856/4885ALDH1A1 765/4885TDP1 1039/4885

“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.