SCHEMBL2680882

SCHEMBL2680882

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

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ USP7 Q93009 13/20 0.80
▸ USP47 Q96K76 6/20 0.80
▸ USP10 Q14694 1/20 0.80
▸ PADI4 Q9UM07 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PDE7A Q13946 1/20 0.40
▸ EIF4E P06730 1/20 0.39
▸ TTR P02766 1/20 0.38
▸ HSPB1 P04792 1/20 0.36

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
SCHEMBL29493045 0.89 USP7 (1.00) USP7USP47USP10PADI4ATM
SCHEMBL2680945 0.89 USP7 (1.00) USP7USP47USP10PADI4ATM
SCHEMBL2681306 0.88 USP7 (0.77) USP7USP47USP10PADI4ATM
SCHEMBL2680694 0.78 USP7 (0.80) USP7USP47USP10PADI4TDP1
SCHEMBL2681097 0.76 USP7 (0.58) USP7USP47USP10PADI4
SCHEMBL28903536 0.76 USP7 (0.60) USP7USP47USP10ATMTDP1
SCHEMBL3715157 0.76 USP7 (0.60) USP7USP47USP10ATMTDP1
SCHEMBL1455298 0.75 USP47 (0.65) USP7USP47USP10PADI4
SCHEMBL2681153 0.75 USP7 (0.57) USP7USP47USP10
SCHEMBL2680671 0.74 HSPB1 (0.56) USP7USP47USP10ATMTDP1

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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