SCHEMBL4560908

SCHEMBL4560908

NC(Oc1cccs1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.44
SLC1A2 P43004 4/20 0.44
SLC1A1 P43005 4/20 0.44
CYP2C19 P33261 2/20 0.42
DAO P14920 1/20 0.39
KIF11 P52732 1/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5 P09917 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL6044891 0.87 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1CYP2C19DAO
SCHEMBL4968147 0.78 ALOX5 (0.44) SLC1A3SLC1A2SLC1A1CYP2C19DAO
SCHEMBL3740253 0.78 KMT2A (0.51) SLC1A3SLC1A2SLC1A1CYP2C19DAO
SCHEMBL7080315 0.78 CYP2C19 (0.42) SLC1A3SLC1A2SLC1A1CYP2C19DAO
SCHEMBL21881381 0.76 PPARA (0.47) CYP2C19POLBPPARGPPARACYP2D6
SCHEMBL6162434 0.76 PPARA (0.47) CYP2C19POLBPPARGPPARACYP2D6
Benzene SCHEMBL29129489 0.76 MMP1 (0.49) SLC1A3SLC1A2SLC1A1CYP2C19DAO
SCHEMBL10670691 0.75 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP2C19DAO
SCHEMBL3874912 0.74 ALOX5 (0.44) DAOKMT2ANPC1MEN1HPGD
SCHEMBL1254648 0.74

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-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 US disclosed
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 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 (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-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 SLC1A3 15/4885SLC1A2 3/4885SLC1A1 10/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A SLC1A3 12/4885SLC1A2 2/4885SLC1A1 6/4885

“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.