SCHEMBL1473954

SCHEMBL1473954

O=C(O)c1ccc(-c2csc(NCC3CC3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.54
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
PIM1 P11309 1/20 0.48
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
NPY5R Q15761 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL2255388 0.81 MAPT (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1474528 0.80 RAB9A (0.60) CSNK2A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13685352 0.79 NPY5R (0.45) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1473691 0.78 RAB9A (0.69) CSNK2A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2253949 0.78 CYP19A1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13825403 0.77 NPY5R (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1474211 0.76 CSNK2A1 (0.63) CSNK2A1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5131839 0.75 CCNK (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2585031 0.75 CCNK (0.43) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL27575993 0.75 ITGB3 (0.54) CSNK2A1RAB9ANPC1SMN1; SMN2MEN1

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-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
WO-2005066180-A9 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-09-25 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-20110112089-A1 Cysteine Protease Inhibitors CTSS, CTSZ, CTSK CSNK2A1 178/4885RAB9A 1120/4885NPC1 438/4885

“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.