SCHEMBL6477192

SCHEMBL6477192

O=C(O)c1cccc(SCCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.63
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MCL1 Q07820 4/20 0.57
BCL2A1 Q16548 4/20 0.57
HDAC1 Q13547 1/20 0.55
FOLH1 Q04609 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
AKR1C3 P42330 1/20 0.48
RAB9A P51151 3/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A2 P43354 1/20 0.47

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
SCHEMBL6477384 0.92 APEX1 (0.58) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL11725367 0.87 HDAC1 (0.52) APEX1CYP1A2CYP2C9HPGDMCL1
SCHEMBL30198674 0.85 APEX1 (0.65) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL3889076 0.85 APEX1 (0.65) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL5020600 0.83 HDAC1 (0.71) CYP1A2CYP2C9HPGDMCL1BCL2A1
SCHEMBL16344775 0.83 APEX1 (0.67) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL28104567 0.83 PLA2G2A (0.51) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL6489046 0.81 APEX1 (0.65) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL12581571 0.81 APEX1 (0.65) APEX1CYP1A2CYP2C9HPGDHSD17B10
SCHEMBL6486526 0.81 HDAC1 (0.64) CYP1A2CYP2C9HPGDMCL1BCL2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 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-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP APEX1 1768/4885CYP1A2 1673/4885CYP2C9 2947/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP APEX1 1768/4885CYP1A2 1673/4885CYP2C9 2947/4885

“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.