SCHEMBL2997706

SCHEMBL2997706

[2H]C([2H])([2H])c1c(C(=O)O)ccc(C#N)c1O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
SELL P14151 1/20 0.36
SELP P16109 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRM1 Q13255 1/20 0.34
CXCR2 P25025 1/20 0.34

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
SCHEMBL2990213 0.88 XDH (0.44) XDHSLC22A12SELLSELPKDM4E
SCHEMBL17201308 0.77 GRM1 (0.47) XDHSLC22A12SELLSELPKDM4E
SCHEMBL3111073 0.77 AR (0.42) XDHSLC22A12KDM4EHSD17B10
SCHEMBL3805126 0.74 DPP4 (0.47) SELLSELPKDM4EHSD17B10GRM1
SCHEMBL27666816 0.74 XDH (0.38) XDHSLC22A12KDM4EHSD17B10
SCHEMBL26613167 0.73 MAPT (0.51) XDHSLC22A12
SCHEMBL23699537 0.72 XDH (0.37) XDHSLC22A12KDM4EHSD17B10
SCHEMBL3455993 0.72 NOTUM (0.49) XDHSLC22A12
SCHEMBL28153672 0.70 CYP1A2 (0.56) XDHSLC22A12KDM4EHSD17B10
SCHEMBL2427288 0.70 MAPT (0.44) XDHSLC22A12

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-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-05-01 US disclosed
US-8546150-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates Michigan Diagnostics, L.L.C. (US) 2013-10-01 US disclosed
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
US-7781229-B2 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. MICHIGAN DIAGNOSTICS, LLC (US) 2010-08-24 US disclosed
US-20070225498-A1 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. MICHIGAN DIAGNOSTICS, LLC 2007-09-27 US 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 (4 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-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO XDH 2/4885SLC22A12 3184/4885SELL 1562/4885
US-20070225498-A1 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. BTD, DDT, LPO XDH 37/4885SLC22A12 1775/4885SELL 2044/4885
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO XDH 2/4885SLC22A12 3443/4885SELL 1722/4885
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, LPO XDH 2/4885SLC22A12 3661/4885SELL 1731/4885

“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.