SCHEMBL2438293

SCHEMBL2438293

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 3/20 0.37
SSTR2 P30874 9/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HCRTR2 O43614 1/20 0.34

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
SCHEMBL2441397 1.00 HTR2A (0.38) HTR2AHTR2CHTR2BKMT2ASSTR2
SCHEMBL2437115 0.89 MAPT (0.39) KMT2AMCL1MEN1POLBHDAC3
SCHEMBL12299497 0.89 MAPT (0.39) KMT2AMCL1MEN1POLBHDAC3
SCHEMBL12329636 0.86 KMT2A (0.42) HTR2AHTR2CHTR2BKMT2ASSTR2
SCHEMBL2442750 0.86 SSTR2 (0.37) HTR2AHTR2CHTR2BKMT2ASSTR2
SCHEMBL12299472 0.86 SSTR2 (0.37) HTR2AHTR2CHTR2BKMT2ASSTR2
SCHEMBL2437013 0.84 KLK7 (0.40) SSTR2
SCHEMBL2114665 0.76 TGM2 (0.39)
SCHEMBL12329377 0.76 KMT2A (0.41) KMT2ASSTR2MEN1POLBHDAC3
SCHEMBL12329376 0.76 KMT2A (0.41) KMT2ASSTR2MEN1POLBHDAC3

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-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
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
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 HTR2A 4101/4885HTR2C 4784/4885HTR2B 4279/4885

“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.