SCHEMBL2444816

SCHEMBL2444816

CC(O)C(NC(=O)C(C)N(C)C(=O)OCc1ccccc1)C(=O)N1CCC2C1C(c1c[nH]c3cc(F)ccc13)CN2C(=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 1/20 0.35
TGM2 P21980 1/20 0.34
CTSK P43235 3/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
SLC6A4 P31645 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
AGTR2 P50052 1/20 0.32
ELANE P08246 2/20 0.32
F2 P00734 1/20 0.32
CTSG P08311 1/20 0.32

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
SCHEMBL12299571 1.00 DRD2 (0.35) DRD2HTR2AHTR7KCNH2TGM2
SCHEMBL2441314 0.92 TGM2 (0.33) DRD2HTR2AHTR7KCNH2TGM2
SCHEMBL12299566 0.92 TGM2 (0.33) DRD2HTR2AHTR7KCNH2TGM2
SCHEMBL2444814 0.88 TGM2 (0.34) DRD2HTR2AHTR7KCNH2TGM2
SCHEMBL2444819 0.84 TGM2 (0.34) DRD2HTR2AHTR7KCNH2TGM2
SCHEMBL12299490 0.83 CTSK (0.38) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL12299516 0.83 CTSK (0.38) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL13449085 0.83 CTSK (0.38) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL12329398 0.82 PYGL (0.35) DRD2HTR2AHTR7KCNH2TGM2
SCHEMBL2440358 0.82 CTSK (0.34) DRD2HTR2AHTR7KCNH2TGM2

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 DRD2 4857/4885HTR2A 4101/4885HTR7 3482/4885

“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.