SCHEMBL10210577

SCHEMBL10210577

CC(C)C[C@H](NCl)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 8/20 0.50
POLB P06746 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
MAPT P10636 10/20 0.47
KMT2A Q03164 8/20 0.47
MEN1 O00255 6/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 3/20 0.46
XBP1 P17861 1/20 0.46
NPR3 P17342 3/20 0.45
GAA P10253 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL12627973 1.00 NPSR1 (0.50) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL7367580 0.83 MAPT (0.48) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL7343698 0.83 NPSR1 (0.48) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL6224857 0.83 MAPT (0.48) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL28516209 0.81 NPSR1 (0.47) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL22311674 0.81 NPSR1 (0.47) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL8284484 0.81 TDP1 (0.37) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL10209050 0.81 CTSK (0.41) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL8299773 0.80 TAS1R3 (0.51) POLBNPR3CYP2C9CYP2C19
SCHEMBL13071694 0.80 TAS1R3 (0.51) POLBNPR3CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-7795245-B2 Heterobicyclic metalloprotease inhibitors Atlantos Pharmaceuticals Holding, Inc. (US) 2010-09-14 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US 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 (3 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-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 NPSR1 2352/4885POLB 1285/4885TDP1 2304/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NPSR1 2352/4885POLB 1285/4885TDP1 2304/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 NPSR1 2352/4885POLB 1285/4885TDP1 2304/4885

“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.