SCHEMBL1474762

SCHEMBL1474762

CC(C)Nc1nc(-c2cccc(C(=O)O)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.56
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.52
ABL1 P00519 2/20 0.51
CFTR P13569 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50

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
SCHEMBL1475441 0.85 CSNK2A1 (0.59) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL1745407 0.81 MEN1 (0.60) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL23742616 0.80 CSNK2A1 (0.78) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL25959378 0.79 CSNK2A1 (0.56) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL3606683 0.78 CSNK2A1 (0.58) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL17150995 0.78 MAOA (0.73)
SCHEMBL1553199 0.78 MAPK1 (0.55) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL23722676 0.78 NPC1 (0.63) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT
SCHEMBL601034 0.77 HTT (0.68) CSNK2A1MAPTNPC1RAB9AMEN1
Bromide SCHEMBL7142457 0.77 CSNK2A1 (0.57) CSNK2A1CSNK2A2CSNK2BCSNK2A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-20110112089-A1 Cysteine Protease Inhibitors MEDIVIR AB (SE) 2011-05-12 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
US-7915300-B2 Especially those of papain superfamily; prophylaxis or treatment of disorders stemming from misbalance of physiological proteases such as cathepsin K; (3aS,6S,6aS)-6-Fluoro-4-{(S)-4-methyl-2-[(R)-2,2,2-trifluoro-1-(4'-methanesulfonylbiphenyl-4-yl)-ethylamino]-pentanoyl}-tetrahydro-furo[3,2-b]pyrrol-3-one MEDIVIR AB (SE) 2011-03-29 US disclosed
CN-100469780-C Cysteine protease inhibitors MEDIVIR AB (SE) 2009-03-18 CN disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
US-20080234260-A1 Cysteine Protease inhibitors MEDIVIR AB (SE) 2008-09-25 US disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 WO disclosed
CN-1918169-A Cysteine protease inhibitors MEDIVIR AB (SE) 2007-02-21 CN disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
WO-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed
EP-1701960-A1 CYSTEINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-09-20 EP disclosed
WO-2005066180-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-07-21 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-20080234260-A1 Cysteine Protease inhibitors CTSS, CTSZ, CTSK CSNK2A1 123/4885CSNK2A2 132/4885CSNK2B 107/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK CSNK2A1 178/4885CSNK2A2 197/4885CSNK2B 153/4885

“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.