SCHEMBL1455538

SCHEMBL1455538

COC(=O)c1ccc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)c(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CASP1 P29466 2/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 2/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP17A1 P05093 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL1454267 0.85 NPC1 (0.47) USP2KMT2AMAPTKDM4EHDAC1
SCHEMBL1453961 0.84 NAMPT (0.46) USP2KMT2AMAPTATMHDAC1
SCHEMBL1455609 0.84 RAB9A (0.55) KMT2AALDH1A1HPGDMAPTKDM4E
SCHEMBL1454431 0.83 TRPV1 (0.50) MAPTKDM4EHDAC1L3MBTL1NAMPT
SCHEMBL1455519 0.82 ALDH1A1 (0.69) KMT2AALDH1A1HPGDNPSR1MAPT
SCHEMBL1455377 0.81 KMT2A (0.54) KMT2AHPGDHDAC1MEN1NAMPT
SCHEMBL1454986 0.80 NAMPT (0.47) KMT2AHPGDMAPTKDM4EHDAC1
SCHEMBL1455064 0.80 PGR (0.43) MAPTHDAC1LMNANAMPTRAF1
SCHEMBL1455827 0.80 NAMPT (0.47) KMT2AALDH1A1MAPTHDAC1MEN1
SCHEMBL1455222 0.80 MAOB (0.44) HDAC1NAMPTRAF1ARAFBRAF

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 USP2 2057/4885KMT2A 3566/4885ALDH1A1 2723/4885

“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.