SCHEMBL2133106

SCHEMBL2133106

CCOC(=O)C(C)Nc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
NLRP3 Q96P20 1/20 0.38
ELANE P08246 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
KAT2B Q92831 1/20 0.36
POLB P06746 2/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
SENP8 Q96LD8 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
SCHEMBL14734358 0.88 MEN1 (0.52) KMT2AMEN1MAPTTSHRSMN1; SMN2
SCHEMBL17269792 0.85 GAA (0.39) KMT2AMEN1MAPTMAPK1ELANE
SCHEMBL31279152 0.81 MAPT (0.38) KMT2AMAPTMAPK1ELANESMN1; SMN2
SCHEMBL29148549 0.81 MAPT (0.38) KMT2AMAPTMAPK1ELANESMN1; SMN2
SCHEMBL30634592 0.80 KMT2A (0.55) KMT2AMEN1MAPTELANESMN1; SMN2
SCHEMBL26841555 0.79 GAA (0.40) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL9955508 0.79 LMNA (0.52) KMT2AMEN1MAPTMAPK1NLRP3
SCHEMBL4085561 0.78 LMNA (0.41) KMT2AMEN1MAPTMAPK1TSHR
SCHEMBL22325943 0.77 LMNA (0.40) KMT2AMEN1MAPTMAPK1TSHR
SCHEMBL13728019 0.77 MAPT (0.48) KMT2AMEN1MAPTMAPK1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
CN-103025736-B Macrocyclic hepatitis C serine protease inhibitors ABBVIE 公司 2016-07-06 CN disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 US disclosed
EP-2576564-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Abbvie Inc. (US) 2013-04-10 EP disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 WO disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 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 (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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KMT2A 4134/4885MEN1 3196/4885MAPT 3207/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KMT2A 4134/4885MEN1 3196/4885MAPT 3207/4885

“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.