SCHEMBL4131367

SCHEMBL4131367

COC[CH]CN(CCCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.41
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 6/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD11B1 P28845 1/20 0.32
HTR2A P28223 1/20 0.31

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
SCHEMBL4148564 0.88 CCR1 (0.40) USP2SMN1; SMN2POLB
SCHEMBL4131370 0.88 CNR2 (0.49) CNR2USP2SMN1; SMN2CNR1POLB
SCHEMBL4134996 0.81 GAA (0.40) SMN1; SMN2L3MBTL1
SCHEMBL4136648 0.78 CNR2 (0.39) CNR2USP2SMN1; SMN2CNR1
SCHEMBL4136637 0.78 CNR2 (0.39) CNR2USP2SMN1; SMN2CNR1
SCHEMBL4145495 0.76 F13A1 (0.44)
SCHEMBL4140628 0.76 TP53 (0.35) CNR2CNR1
SCHEMBL4140623 0.76 TP53 (0.35) CNR2CNR1
SCHEMBL4148569 0.76 GSTO1 (0.43) CNR2USP2SMN1; SMN2POLBL3MBTL1
SCHEMBL4145501 0.70 PTGES (0.39) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CNR2 57/4885USP2 4586/4885SMN1; SMN2 2937/4885

“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.