SCHEMBL2960076

SCHEMBL2960076

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)NN2CCN(C[C@@H]3CCCN(CS(=O)(=O)O)C3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.37
KMT2A Q03164 8/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 6/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 3/20 0.35
KCNQ1 P51787 4/20 0.34
CCR3 P51677 1/20 0.34
NPC1 O15118 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34

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
SCHEMBL2960079 1.00 P2RX3 (0.37) P2RX3KMT2AMAPTMEN1LMNA
SCHEMBL2953795 0.90 KMT2A (0.39) KMT2AMAPTMEN1LMNAHTT
SCHEMBL2953799 0.90 KMT2A (0.39) KMT2AMAPTMEN1LMNAHTT
SCHEMBL2957792 0.85 ACHE (0.43) KMT2AMAPTMEN1LMNAHTT
SCHEMBL2948289 0.83 TLR9 (0.42) KMT2AMAPTMEN1LMNAHTT
SCHEMBL2957660 0.81 CPT1A (0.41) KMT2AMAPTMEN1LMNAHTT
SCHEMBL3588551 0.81 ROCK1 (0.43) KMT2AMAPTMEN1LMNAHTT
SCHEMBL3588561 0.81 ROCK1 (0.43) KMT2AMAPTMEN1LMNAHTT
SCHEMBL3588557 0.81 ROCK1 (0.43) KMT2AMAPTMEN1LMNAHTT
SCHEMBL13199023 0.80 CCR2 (0.46) KMT2AMAPTMEN1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US claimed
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP claimed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US claimed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
EP-1771425-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-04-11 EP disclosed
WO-2006016039-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-02-16 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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 P2RX3 1637/4885KMT2A 1446/4885MAPT 645/4885

“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.