SCHEMBL3596707

SCHEMBL3596707

Cn1cnc(S(=O)(=O)N2CCC[C@@H](CN3CCN(C(=O)O)CC3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
POLB P06746 2/20 0.50
LMNA P02545 3/20 0.49
SLC6A9 P48067 1/20 0.42
GRM2 Q14416 1/20 0.42
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL3596710 1.00 TP53 (0.52) TP53POLBLMNASLC6A9GRM2
SCHEMBL13037006 0.80 TP53 (0.55) TP53POLBLMNASLC6A9GRM2
SCHEMBL3582654 0.78 CD274 (0.42) TP53POLBLMNAMMP3MMP9
SCHEMBL3592403 0.74 CCR2 (0.40)
SCHEMBL30537252 0.74 TP53 (0.55) TP53POLBLMNAGRM2
SCHEMBL12128449 0.74 TP53 (0.50) TP53POLBLMNASLC6A9
SCHEMBL3592407 0.74 CCR2 (0.40)
SCHEMBL3588653 0.73 ALDH1A1 (0.40) LMNA
SCHEMBL3588651 0.73 ALDH1A1 (0.40) LMNA
SCHEMBL27692840 0.72 CCR2 (0.53)

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 TP53 1114/4885POLB 4267/4885LMNA 4164/4885

“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.