SCHEMBL1455074

SCHEMBL1455074

CC(C)(C)c1cnc(NC(=O)c2ccc(Sc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)c(N)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ABL1 P00519 1/20 0.37
KIT P10721 1/20 0.37
MDM2 Q00987 1/20 0.34
MAPT P10636 5/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 4/20 0.33
CDK2 P24941 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDR P35968 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33

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
SCHEMBL1455717 0.89 MAPT (0.43) EPHX2MAPTALDH1A1L3MBTL1KMT2A
SCHEMBL1455606 0.83 TAS1R3 (0.40) EPHX2MAPTTP53ALDH1A1KDM4E
SCHEMBL1454542 0.82 MEN1 (0.43) EPHX2MAPTTP53ALDH1A1KDM4E
SCHEMBL1455419 0.82 EPHX2 (0.40) EPHX2ABL1KITMAPTALDH1A1
SCHEMBL1455410 0.81 F10 (0.42) EPHX2MAPTTP53ALDH1A1KDM4E
SCHEMBL1455409 0.81 NPC1 (0.42) EPHX2ABL1KITMAPTALDH1A1
SCHEMBL1454290 0.81 EPHX2 (0.41) EPHX2ABL1KITMDM2MAPT
SCHEMBL1454064 0.80 ABL1 (0.37) EPHX2ABL1KITCTSK
SCHEMBL1455067 0.80 EPHX2 (0.42) EPHX2MAPTALDH1A1KDM4EHPGD
SCHEMBL1455931 0.80 EPHX2 (0.42) EPHX2ABL1MDM2MAPTTP53

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 EPHX2 3223/4885ABL1 92/4885KIT 4434/4885

“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.