SCHEMBL1455419

SCHEMBL1455419

Nc1cc(C(=O)Nc2nc(C(F)(F)F)cs2)ccc1Sc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
GCK P35557 2/20 0.38
GRM5 P41594 1/20 0.35
MPL P40238 6/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 1/20 0.34
KIT P10721 1/20 0.34
FZD7 O75084 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 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
SCHEMBL1455606 0.87 TAS1R3 (0.40) EPHX2KDM4EMAPTKMT2AALDH1A1
SCHEMBL1455074 0.82 EPHX2 (0.39) EPHX2GCKKDM4EMAPTKMT2A
SCHEMBL1454596 0.81 EPHX2 (0.50) EPHX2KDM4EMAPTKMT2AALDH1A1
SCHEMBL4975269 0.81 GCK (0.47) GCKGRM5MPLKDM4EMAPT
SCHEMBL1455931 0.80 EPHX2 (0.42) EPHX2KDM4EMAPTKMT2AABL1
SCHEMBL1454290 0.80 EPHX2 (0.41) EPHX2KDM4EMAPTKMT2AABL1
SCHEMBL1454647 0.80 ABL1 (0.35) MPLABL1KIT
SCHEMBL1455067 0.79 EPHX2 (0.42) EPHX2KDM4EMAPTPOLBKMT2A
SCHEMBL1455409 0.78 NPC1 (0.42) EPHX2KDM4EMAPTPOLBKMT2A
SCHEMBL1455410 0.78 F10 (0.42) EPHX2KDM4EMAPTKMT2AALDH1A1

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 3 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
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885GCK 1165/4885GRM5 4602/4885

“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.