SCHEMBL3595078

SCHEMBL3595078

O=C(O)N1CCN(CC2CCCCN2S(=O)(=O)CC(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
BRD2 P25440 3/20 0.35
BRD3 Q15059 3/20 0.35
BRDT Q58F21 3/20 0.35
OPRD1 P41143 1/20 0.35
HRH3 Q9Y5N1 5/20 0.33
KCNH2 Q12809 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 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
SCHEMBL3580892 0.77 GAA (0.34) HRH3KCNH2SMN1; SMN2
SCHEMBL13037003 0.74 TSHR (0.48) SMN1; SMN2LMNAMAPK1
SCHEMBL3590459 0.69 MMP1 (0.54)
SCHEMBL3598308 0.69 NAMPT (0.40) BRD4BRD2BRD3BRDTLMNA
SCHEMBL3582654 0.69 CD274 (0.42) LMNA
SCHEMBL3591997 0.69 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPK1
SCHEMBL3592514 0.68 TP53 (0.37)
SCHEMBL3596139 0.68 KMT2A (0.47)
SCHEMBL3584781 0.68 NAMPT (0.38) BRD4BRD2BRD3BRDT
SCHEMBL3595571 0.67 FPR2 (0.41) SMN1; SMN2LMNA

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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 BRD4 1539/4885BRD2 2521/4885BRD3 3417/4885

“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.