SCHEMBL5746138

SCHEMBL5746138

O=C1CC(OCC2c3ccccc3-c3ccccc32)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 2/20 0.42
IDO1 P14902 4/20 0.39
DDB1 Q16531 3/20 0.37
CRBN Q96SW2 3/20 0.37
HTR2A P28223 1/20 0.36
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
CREBBP Q92793 3/20 0.34
BRD4 O60885 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CHRM2 P08172 1/20 0.34
OPRM1 P35372 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3515128 0.81 TSHR (0.42) CA1CA2TSHRIDO1DDB1
SCHEMBL29883515 0.81 TSHR (0.42) CA1CA2TSHRIDO1DDB1
SCHEMBL2367056 0.75 FABP5 (0.48) CA1CA2TSHRIDO1KMT2A
SCHEMBL31532292 0.75 FABP5 (0.48) CA1CA2TSHRIDO1KMT2A
SCHEMBL29618947 0.75 FABP5 (0.48) CA1CA2TSHRIDO1KMT2A
SCHEMBL1056748 0.74 TSHR (0.44) TSHRIDO1DDB1CRBNHTR2A
SCHEMBL8466835 0.73 CASP3 (0.43) KMT2A
SCHEMBL6058496 0.73 CASP3 (0.43) KMT2A
SCHEMBL4611910 0.72 KMT2A (0.49) TSHRKMT2ATDP1
SCHEMBL9204422 0.72 KMT2A (0.43) TSHRKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682540-A1 AZOLIDINECARBONITRILES AND THEIR USE AS DPP-IV INHIBITORS Sankaranarayanan, Alangudi (IN) 2006-07-26 EP disclosed
WO-2005033106-A1 AZOLIDINECARBONITRILES AND THEIR USE AS DPP-IV INHIBITORS SANKARANARAYANAN ALANGUDI (IN) 2005-04-14 WO disclosed
US-20040106802-A1 Novel compounds and therapeutic uses thereof TORRENT PHARMACEUTICALS LTD. 2004-06-03 US disclosed
EP-0819134-B1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES, METHOD FOR PREPARING SAME, AND SYNTHON USED THEREIN GENSET SA (FR) 2001-07-18 EP disclosed
US-6187913-B1 Covalently crosslinked oligonucleotides, preparation method and synthon which is of use in the method GENSET (FR) 2001-02-13 US disclosed
EP-0819134-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES, METHOD FOR PREPARING SAME, AND SYNTHON USED THEREIN GENSET SA (FR) 1998-01-21 EP disclosed
WO-1996031523-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES, METHOD FOR PREPARING SAME, AND SYNTHON USED THEREIN GENSET (FR) 1996-10-10 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-20040106802-A1 Novel compounds and therapeutic uses thereof GPR119, SLC5A1, SLC2A3 CA1 3323/4885CA2 2184/4885TSHR 2389/4885

“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.