SCHEMBL6698978

SCHEMBL6698978

CCSC(=O)C(C)Cc1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
HDAC8 Q9BY41 1/20 0.38
HTRA1 Q92743 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ACACB O00763 2/20 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
SCHEMBL6698985 0.83 ALDH1A1 (0.51) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL7099897 0.83 PTPN1 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12042755 0.83 PTPN1 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12696337 0.82 PTPN1 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL6698980 0.80 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL13141375 0.79 PTPN1 (0.50) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL6936865 0.78 PPARA (0.41) ACACB
SCHEMBL8752337 0.77 CYP1A2 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL196829 0.77 PTPN1 (0.53) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL198467 0.75 PTPN1 (0.60) PTPN1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 PTPN1 3392/4885PSEN1 4774/4885PSEN2 4848/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 PTPN1 3392/4885PSEN1 4774/4885PSEN2 4848/4885

“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.