SCHEMBL1474629

SCHEMBL1474629

Cc1cc(C(=O)N2CCOCC2)sc1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL18889202 0.74 L3MBTL1 (0.54) HPGDL3MBTL1TSHRLMNAKDM4E
SCHEMBL18889259 0.73 L3MBTL1 (0.56) HPGDL3MBTL1TSHRLMNAKDM4E
SCHEMBL3157121 0.73 HPGD (0.77) HPGDL3MBTL1TSHRLMNASMN1; SMN2
SCHEMBL4160220 0.73 HPGD (0.77) HPGDL3MBTL1TSHRKDM4ESMN1; SMN2
SCHEMBL12195805 0.72 HPGD (0.51) HPGDL3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL1657049 0.72 HPGD (0.60) HPGDL3MBTL1TSHRKDM4ESMN1; SMN2
SCHEMBL18889270 0.71 L3MBTL1 (0.69) HPGDL3MBTL1LMNAALDH1A1NPC1
SCHEMBL3257668 0.71 HPGD (0.51) HPGDL3MBTL1TSHRKDM4ESMN1; SMN2
SCHEMBL10039298 0.71 HPGD (0.58) HPGDL3MBTL1TSHRLMNAKDM4E
SCHEMBL22859225 0.71 HSP90AA1 (0.56) HPGDL3MBTL1TSHRKDM4ESMN1; SMN2

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 7 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-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-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-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 HPGD 2758/4885L3MBTL1 1845/4885TSHR 1185/4885
US-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK HPGD 2165/4885L3MBTL1 2163/4885TSHR 1111/4885

“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.