SCHEMBL1495934

SCHEMBL1495934

COC(=O)c1ccc(CC(=O)O)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.51
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.47
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
MAPT P10636 5/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
NOTUM Q6P988 1/20 0.46
RXRG P48443 1/20 0.46
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44

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
Trifluoroacetic Acid SCHEMBL5552617 0.91 NOTUM (0.52) NR1H4CA12CA1CA2CA7
SCHEMBL10043657 0.87 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL19647679 0.87 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL14175211 0.84 TDP1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL25721981 0.84 TDP1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1495964 0.84 NPSR1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2968528 0.83 ALDH1A1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL2329286 0.83 NPC1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1495886 0.83 ALDH1A1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL14235189 0.82 NR1H4 (0.52) NR1H4TDP1ALDH1A1RXRARXRB

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2016-02-18 US disclosed
EP-2533638-B1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS NIVALIS THERAPEUTICS INC (US) 2016-02-10 EP disclosed
US-9187447-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-8759548-B2 S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
EP-2533638-A1 NOVEL S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
US-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 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 (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-20120289555-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NR1H4 1132/4885CA12 4848/4885CA1 4682/4885
US-20160045478-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NR1H4 1132/4885CA12 4848/4885CA1 4682/4885
US-20140275185-A1 Novel S-Nitrosoglutathione Reductase Inhibitors GSR, GRHPR, POR NR1H4 1132/4885CA12 4848/4885CA1 4682/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B NR1H4 1200/4885CA12 3813/4885CA1 2046/4885

“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.