Sugi Predict

Sugi Predict / Compounds / SCHEMBL6400533

SCHEMBL6400533

SCHEMBL6400533

CC[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)N(O)C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC1 Q13547 2/20 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
SCHEMBL6401582 1.00 CYP1A2 (0.38) CYP1A2RAB9AHIF1AEPAS1LMNA
SCHEMBL6401254 0.92 CYP1A2 (0.35) CYP1A2RAB9AHIF1AEPAS1LMNA
SCHEMBL6406024 0.91 KMT2A (0.38) CYP1A2RAB9AHIF1AEPAS1LMNA
SCHEMBL6406029 0.91 KMT2A (0.38) CYP1A2RAB9AHIF1AEPAS1LMNA
SCHEMBL6402218 0.89 MMP2 (0.39) CYP1A2RAB9AHIF1AEPAS1KMT2A
SCHEMBL6402216 0.89 MMP2 (0.39) CYP1A2RAB9AHIF1AEPAS1KMT2A
SCHEMBL6399844 0.88 MMP2 (0.40) CYP1A2HIF1AEPAS1KMT2APTGES
SCHEMBL6399841 0.88 MMP2 (0.40) CYP1A2HIF1AEPAS1KMT2APTGES
SCHEMBL6606372 0.86 HPGD (0.43) CYP1A2HIF1AEPAS1KMT2APTGES
SCHEMBL6403845 0.86 HPGD (0.43) CYP1A2HIF1AEPAS1KMT2APTGES

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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 — — US claimed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 — — EP claimed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 — — US claimed
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 — — US disclosed
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 — — EP disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 — — 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 (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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 CYP1A2 1075/4885RAB9A 2737/4885HIF1A 2197/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 CYP1A2 909/4885RAB9A 3078/4885HIF1A 1403/4885

“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.