SCHEMBL2437115

SCHEMBL2437115

CC(C)(C)OC(=O)N1CC[C@H](OS(C)(=O)=O)[C@H]1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCL1 Q07820 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
HDAC3 O15379 2/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12299497 1.00 MAPT (0.39) MAPTNPSR1MCL1KMT2AMEN1
SCHEMBL2438293 0.89 HTR2A (0.38) MCL1KMT2AMEN1POLBHDAC3
SCHEMBL2441397 0.89 HTR2A (0.38) MCL1KMT2AMEN1POLBHDAC3
SCHEMBL2440066 0.87 MAPT (0.43) MAPTNPSR1MCL1KMT2AMEN1
SCHEMBL12299495 0.87 MAPT (0.43) MAPTNPSR1MCL1KMT2AMEN1
SCHEMBL2443811 0.87 MAPT (0.39) MAPTNPSR1MCL1KMT2AMEN1
SCHEMBL2441526 0.87 MAPT (0.39) MAPTNPSR1MCL1KMT2AMEN1
SCHEMBL2437013 0.81 KLK7 (0.40) MAPTALDH1A1GAA
SCHEMBL2622089 0.76 MEN1 (0.34) MAPTNPSR1KMT2AMEN1POLB
SCHEMBL2622084 0.76 MEN1 (0.34) MAPTNPSR1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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 (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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 MAPT 375/4885NPSR1 3855/4885MCL1 383/4885

“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.