SCHEMBL2681306

SCHEMBL2681306

COC(=O)c1cc([N+](=O)[O-])c(Sc2ccc(F)cc2F)s1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 12/20 0.77
▸ USP47 Q96K76 7/20 0.77
▸ USP10 Q14694 2/20 0.77
▸ PADI4 Q9UM07 1/20 0.44
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38

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
SCHEMBL2680882 0.88 USP7 (0.80) USP7USP47USP10PADI4TDP1
SCHEMBL2680945 0.87 USP7 (1.00) USP7USP47USP10PADI4TDP1
SCHEMBL29493045 0.87 USP7 (1.00) USP7USP47USP10PADI4TDP1
SCHEMBL2681525 0.80 USP7 (0.77) USP7USP47USP10PADI4TDP1
SCHEMBL2680463 0.78 USP7 (0.57) USP7USP47USP10PADI4
SCHEMBL2681396 0.78 HSPB1 (0.52) USP7USP47USP10PTGS1PTGS2
SCHEMBL2681153 0.75 USP7 (0.57) USP7USP47USP10LMNAMAPT
SCHEMBL2679770 0.74 USP7 (0.76) USP7USP47PADI4
SCHEMBL2680561 0.73 MAPT (0.52) USP7USP47TDP1LMNAMAPT
SCHEMBL28903536 0.72 USP7 (0.60) USP7USP47USP10PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680139-B2 Anti-neoplastic compounds, compositions and methods PROGENRA (US) 2014-03-25 — — US disclosed
US-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA 2012-05-10 — — US disclosed
WO-2010114881-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS PROGENRA INC. (US) 2010-10-07 — — 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 (1 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-20120114765-A1 ANTI-NEOPLASTIC COMPOUNDS, COMPOSITIONS AND METHODS SERPINB1, TP53, CTSE USP7 437/4885USP47 315/4885USP10 363/4885

“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.

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