Sugi Predict

Sugi Predict / Compounds / SCHEMBL2348040

SCHEMBL2348040

SCHEMBL2348040

C=CC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA12 O43570 3/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA1 P00915 3/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ CA7 P43166 1/20 0.36
▸ CTSK P43235 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL20782862 0.83 TDP1 (0.43) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28750075 0.82 MAOA (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28457707 0.81 TDP1 (0.50) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL21455741 0.81 TDP1 (0.42) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL27117990 0.81 MEN1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL20630170 0.81 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL27489149 0.81 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL3131272 0.80 TDP1 (0.47) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL19752917 0.79 TDP1 (0.43) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL8056145 0.79 TDP1 (0.43) TDP1MAOAMAOBMEN1KMT2A

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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 — — US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 — — US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 — — US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 — — US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 — — US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 — — US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 — — US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 — — US disclosed
CN-106661084-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2021-08-31 — — CN disclosed
EP-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
WO-2009105825-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
WO-2009105825-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 — — US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 — — US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 — — US disclosed
EP-1064300-B1 PEPTIDE TURN MIMETICS MIMETICA PTY LTD (AU) 2009-03-04 — — 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 (6 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885MAOA 1689/4885MAOB 1440/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885MAOA 1689/4885MAOB 1440/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R TDP1 4867/4885MAOA 1234/4885MAOB 1347/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885MAOA 1689/4885MAOB 1440/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 TDP1 215/4885MAOA 1689/4885MAOB 1440/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R TDP1 4795/4885MAOA 1735/4885MAOB 2158/4885

“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.