SCHEMBL14735786

SCHEMBL14735786

COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1.O=C(Nc1ccc(C2CCN([C@H](C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTTP P55157 11/20 0.43
NPY2R P49146 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
APOB P04114 2/20 0.41
MMP9 P14780 4/20 0.41
MMP2 P08253 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 2/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL14735725 1.00 MTTP (0.43) MTTPNPY2RGAAPOLBAPOB
Usistapide SCHEMBL785351 0.96 NPY2R (0.47) MTTPNPY2RGAAPOLBAPOB
SCHEMBL785011 0.89 GAA (0.41) MTTPGAAPOLBAPOBMMP9
SCHEMBL786257 0.89 GAA (0.41) MTTPGAAPOLBAPOBMMP9
SCHEMBL904380 0.82 MTTP (0.52) MTTPNPY2RAPOB
SCHEMBL904386 0.82 MTTP (0.52) MTTPNPY2RAPOB
SCHEMBL904381 0.82 MTTP (0.52) MTTPNPY2RAPOB
Hydrochloric Acid SCHEMBL2579600 0.81 MTTP (0.51) MTTPNPY2RAPOB
SCHEMBL14748036 0.80 NPY2R (0.51) MTTPNPY2RGAAAPOBSMN1; SMN2
SCHEMBL14748023 0.80 NPY2R (0.51) MTTPNPY2RGAAAPOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435406-B1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP claimed
EP-2435406-B1 RESOLUTION OF (±)-METHYL PHENYL[4-[4-[[[4'-(TRIFLUOROMETHYL)-2-BIPHENYLYL]CARBONYL]AMINO]PHENYL]-1-PIPERIDINYL]ACETATE JANSSEN PHARMACEUTICA NV (BE) 2013-03-06 EP disclosed