SCHEMBL13835968

SCHEMBL13835968

CCOC(=O)c1ccc(-c2c(-c3ccsc3)oc3cc(-c4sccc4C(=O)O)ccc3c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL2332179 0.81 ALDH1A1 (0.44) TNKSHPGDMAPTALDH1A1TSHR
SCHEMBL15312641 0.75 ALDH1A1 (0.39) TNKSHPGDMAPTALDH1A1TSHR
SCHEMBL2327952 0.74 ESR1 (0.47) HPGDMAPTALDH1A1TSHRMEN1
SCHEMBL6705545 0.68 MAPT (0.55) HPGDMAPTALDH1A1CHEK2MEN1
SCHEMBL13836188 0.68 MAPT (0.52) TNKSHPGDMAPTALDH1A1TSHR
SCHEMBL10624618 0.67 ALDH1A1 (0.52) TNKSHPGDMAPTALDH1A1TSHR
SCHEMBL11553562 0.67 ALDH1A1 (0.62) TNKSHPGDMAPTALDH1A1TSHR
SCHEMBL28458798 0.66 KDM4E (0.48) HPGDMAPTALDH1A1TSHRMEN1
SCHEMBL15603247 0.66 MAPT (0.40) TNKSHPGDMAPTALDH1A1TSHR
SCHEMBL2334482 0.65 ALDH1A1 (0.52) TNKSHPGDMAPTALDH1A1TSHR

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-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 — — US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 — — US disclosed
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, INC. (US) 2014-06-12 — — US disclosed
US-8669381-B2 Chromone inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-03-11 — — US disclosed
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2013-10-17 — — US disclosed
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2012-11-22 — — 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TNKS 3959/4885HPGD 98/4885MAPT 3897/4885
US-20130274320-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TNKS 3959/4885HPGD 98/4885MAPT 3897/4885
US-20140163092-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TNKS 3959/4885HPGD 98/4885MAPT 3897/4885
US-20120295966-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 TNKS 3959/4885HPGD 98/4885MAPT 3897/4885

“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.

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