SCHEMBL1335864

SCHEMBL1335864

CSSCCC(=O)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.49
KIT P10721 2/20 0.49
FLT1 P17948 2/20 0.49
KDR P35968 2/20 0.49
ABL2 P42684 2/20 0.49
FLT4 P35916 1/20 0.49
PYGL P06737 1/20 0.34
P2RY12 Q9H244 2/20 0.33
DAPK3 O43293 2/20 0.33
STK17B O94768 2/20 0.33
DAPK1 P53355 2/20 0.33
STK17A Q9UEE5 2/20 0.33
DAPK2 Q9UIK4 2/20 0.33
EGFR P00533 1/20 0.33
MELK Q14680 1/20 0.33
SYK P43405 4/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAB9A P51151 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
SCHEMBL1335870 1.00 ADH1A (0.49) ADH1AKITFLT1KDRABL2
SCHEMBL12126154 0.97 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL15493624 0.91 ADH1A (0.46) ADH1AKITFLT1KDRABL2
SCHEMBL1335694 0.91 ADH1A (0.44) ADH1AKITFLT1KDRABL2
SCHEMBL6518872 0.91 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL6518871 0.91 ADH1A (0.53) ADH1AKITFLT1KDRABL2
SCHEMBL14301821 0.90 PYGL (0.38) ADH1AKITFLT1KDRABL2
SCHEMBL6512534 0.88 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL6512526 0.88 KDR (0.52) ADH1AKITFLT1KDRABL2
SCHEMBL13669050 0.88 ADH1A (0.50) ADH1AKITFLT1KDRABL2

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-20110280890-A1 PRODRUGS OF CC-1065 ANALOGS IMMUNOGEN, INC. (US) 2011-11-17 US disclosed
US-8012978-B2 Prodrugs of CC-A1065 analogs IMMUNOGEN, INC. (US) 2011-09-06 US disclosed
US-20090028821-A1 PRODRUGS OF CC-A1065 ANALOGS SANOFI-AVENTIS (FR) 2009-01-29 US disclosed
EP-1993999-A1 IMPROVED PRODRUGS OF CC-1065 ANALOGS Sanofi-Aventis (FR) 2008-11-26 EP disclosed
WO-2007102069-A1 IMPROVED PRODRUGS OF CC-1065 ANALOGS SANOFI-AVENTIS (FR) 2007-09-13 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 (2 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-20110280890-A1 PRODRUGS OF CC-1065 ANALOGS CASP5, SENP5, CWC15 ADH1A 4088/4885KIT 2815/4885FLT1 1259/4885
US-20090028821-A1 PRODRUGS OF CC-A1065 ANALOGS PDIA5, CA6, STS ADH1A 2353/4885KIT 3779/4885FLT1 1380/4885

“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.