SCHEMBL2962874

SCHEMBL2962874

CS(=O)(=O)Nc1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.46
TYK2 P29597 1/20 0.45
KEAP1 Q14145 1/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
PPARG P37231 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
KCNH2 Q12809 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 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
SCHEMBL14029129 0.79 EPHX2 (0.48) EPHX2TYK2NR1H4PPARGGRIN1
SCHEMBL21955384 0.78 EPHX2 (0.45) EPHX2KEAP1KIF11ALDH1A1SMN1; SMN2
SCHEMBL1016072 0.77 ACLY (0.58) EPHX2GAAHPGDMAPK1KIF11
SCHEMBL13034388 0.76 HPGD (0.47) EPHX2KEAP1GAAHPGDMAPK1
SCHEMBL5178749 0.75 WDR5 (0.54) EPHX2KEAP1HPGDKIF11ALDH1A1
SCHEMBL12764248 0.75 CA1 (0.47) EPHX2KEAP1GAAHPGDMAPK1
SCHEMBL3447030 0.75 ALDH1A1 (0.53) KEAP1HPGDALDH1A1SMN1; SMN2POLB
SCHEMBL3524481 0.74 POLB (0.60) GAAHPGDMAPK1KIF11ALDH1A1
SCHEMBL3513834 0.74 TYK2 (0.63) TYK2MAPK1ALDH1A1SMN1; SMN2POLB
SCHEMBL12985489 0.73 HPGD (0.45) EPHX2KEAP1GAAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759388-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2010-07-20 US disclosed
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO. INC (JP) 2009-02-19 US disclosed
US-7452905-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-11-18 US disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP disclosed
US-20030220318-A1 New phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-11-27 US disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 EP 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 (2 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-20030220318-A1 New phenylalanine derivatives VCAM1, PAH, ICAM1 EPHX2 3790/4885TYK2 121/4885KEAP1 3667/4885
US-20090048236-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 EPHX2 3861/4885TYK2 184/4885KEAP1 4182/4885

“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.