SCHEMBL3582654

SCHEMBL3582654

Cn1cnc(S(=O)(=O)N2CCCCC2CN2CCN(C(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.42
POLB P06746 2/20 0.41
TP53 P04637 3/20 0.39
LMNA P02545 1/20 0.39
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3598308 0.80 NAMPT (0.40) POLBTP53LMNATSHR
SCHEMBL13037001 0.80 PSEN1 (0.52) CD274POLBTP53LMNAKMT2A
SCHEMBL3596139 0.78 KMT2A (0.47) POLBKMT2A
SCHEMBL3596707 0.78 TP53 (0.52) POLBTP53LMNAMMP3MMP9
SCHEMBL3596710 0.78 TP53 (0.52) POLBTP53LMNAMMP3MMP9
SCHEMBL3592514 0.76 TP53 (0.37) POLBTP53KMT2A
SCHEMBL3590459 0.76 MMP1 (0.54) MMP3MMP9MMP1MMP7TSHR
SCHEMBL5394740 0.76 TP53 (0.45) CD274POLBTP53LMNAMMP3
SCHEMBL3584781 0.74 NAMPT (0.38) TP53KMT2A
SCHEMBL3722752 0.74 POLB (0.49) CD274POLBTP53LMNAMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
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 CD274 3162/4885POLB 4267/4885TP53 1114/4885

“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.