SCHEMBL4229154

SCHEMBL4229154

[2H]C1CCCC2(N=C(c3ccc(C(F)(F)F)cc3)C(=O)N2[2H])C1([2H])[2H]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.41
TDP2 O95551 1/20 0.36
NEK2 P51955 2/20 0.35
RAB9A P51151 2/20 0.33
MAPKAPK2 P49137 1/20 0.32
TNKS O95271 2/20 0.32
WNT3A P56704 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32
PARP1 P09874 1/20 0.32
KIF11 P52732 1/20 0.32
PIM1 P11309 2/20 0.32
NOTUM Q6P988 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL4443465 0.89 POLB (0.51) POLBTSHRTDP2NEK2RAB9A
SCHEMBL951763 0.84 POLB (0.46) POLBTSHRTDP2NEK2RAB9A
SCHEMBL950407 0.83 TDP2 (0.39) POLBTSHRTDP2NEK2MAPKAPK2
SCHEMBL950042 0.79 POLB (0.71) POLBTSHRTDP2NEK2RAB9A
SCHEMBL953438 0.78 POLB (0.69) POLBTSHRTDP2NEK2RAB9A
SCHEMBL4599178 0.74 POLB (0.46) POLBTSHRTDP2NEK2RAB9A
SCHEMBL4229295 0.68 PIM1 (0.38) POLBWNT3ATNKS2PIM1NOTUM
SCHEMBL4223386 0.66 GCGR (0.45)
SCHEMBL3839179 0.65 RECQL (0.41) POLBTSHRTDP2NEK2WNT3A
SCHEMBL15943169 0.65 NEK2 (0.51) POLBTSHRNEK2

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
US-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1994010-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2008-11-26 EP disclosed
WO-2007104775-A1 COMPOUNDS WHICH INHIBIT THE GLYCINE TRANSPORTER AND USES THEREOF GLAXO GROUP LIMITED (GB) 2007-09-20 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-20090062360-A1 Compounds Which Inhibit the Glycine Transporter and Uses Thereof SLC18A2, SLC1A2, SLC1A1 POLB 3879/4885TSHR 3004/4885TDP2 708/4885

“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.