SCHEMBL4016865

SCHEMBL4016865

CCN(c1cccc(C)c1)C(O)CCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 2/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.38
PER2 O15055 1/20 0.38
CRY1 Q16526 1/20 0.38
CRY2 Q49AN0 1/20 0.38
POLB P06746 4/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
SCHEMBL11748273 0.83 TP53 (0.42) MAPTTP53GLAALDH1A1HPGD
SCHEMBL11321199 0.79 TP53 (0.44) MAPTTP53GLAALDH1A1HPGD
SCHEMBL9314947 0.77 TP53 (0.49) MAPTTP53GLAALDH1A1HPGD
SCHEMBL7959682 0.77 MAPT (0.46) MAPTTP53GLAALDH1A1HPGD
SCHEMBL9081406 0.77 TP53 (0.46) MAPTTP53GLAALDH1A1HPGD
SCHEMBL8388252 0.76 TP53 (0.48) MAPTTP53GLAALDH1A1HPGD
SCHEMBL186732 0.76 TP53 (0.48) MAPTTP53GLAALDH1A1HPGD
SCHEMBL9360403 0.76 TP53 (0.46) MAPTTP53GLAALDH1A1HPGD
SCHEMBL6845542 0.75 TP53 (0.47) MAPTTP53GLAALDH1A1HPGD
SCHEMBL1802310 0.75 TP53 (0.45) MAPTTP53GLAALDH1A1HPGD

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-8187831-B2 Chimeric proteins, nucleic acids encoding chimeric proteins, methods and kits for assaying for sodium ions and for lithium ions in a sample, using inter alia, a 3'(2'),5'-bisphosphate nucleotidase GENERAL ATOMICS (US) 2012-05-29 US disclosed
EP-1677665-A4 DETERMINATION OF IONS USING ION-SENSITIVE ENZYMES GEN ATOMICS (US) 2009-07-01 EP disclosed
EP-1677665-A2 DETERMINATION OF IONS USING ION-SENSITIVE ENZYMES GENERAL ATOMICS (US) 2006-07-12 EP disclosed
US-20050142606-A1 Determination of ions using ion-sensitive enzymes DIAZYME LABORATORIES, INC. 2005-06-30 US disclosed
WO-2005027725-A2 DETERMINATION OF IONS USING ION-SENSITIVE ENZYMES GENERAL ATOMICS (US) 2005-03-31 WO disclosed
EP-0533183-B1 Composition for the measurement of potassium ion concentration TOYO BOSEKI (JP) 1997-12-29 EP disclosed
US-5334507-A Pyruvate kinase, glycerol kinase, glycerol-3-phosphate oxidase, peroxidase, reduced chromogen, adenosine diphosphate, phosphoenolpyruvic acid TOYO BOSEKI KABUSHIKI KAISHA (JP) 1994-08-02 US disclosed
EP-0533183-A2 Composition for the measurement of potassium ion concentration TOYO BOSEKI KABUSHIKI KAISHA Trading under the name of Toyobo Co., Ltd. (JP) 1993-03-24 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 (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-20050142606-A1 Determination of ions using ion-sensitive enzymes ITPA, NT5E, NT5C2 MAPT 3923/4885TP53 2169/4885GLA 657/4885

“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.