SCHEMBL244880

SCHEMBL244880

Cc1cc(C(N)=O)ccc1-n1c(CC(=O)O)ccc1-c1ccc(-c2ccsc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 1/20 0.51
CYP2C19 P33261 1/20 0.51
CHEK2 O96017 5/20 0.43
CHEK1 O14757 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
PTGER1 P34995 1/20 0.35
MYC P01106 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN7 P35236 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 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
SCHEMBL1837599 0.89 ADH5 (0.45) ADH5CYP2C19CHEK2CHEK1POLB
SCHEMBL13494876 0.78 ADH5 (0.48) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL244176 0.78 ADH5 (0.74) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL1977561 0.77 ADH5 (0.70) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL245647 0.77 ADH5 (0.75) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL245660 0.76 ADH5 (0.71) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL1835725 0.75 ADH5 (0.70) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL243935 0.75 ADH5 (0.70) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL247984 0.75 ADH5 (0.67) ADH5CYP2C19TP53POLBSMN1; SMN2
SCHEMBL244019 0.75 ADH5 (0.69) ADH5CYP2C19TP53POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP claimed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US claimed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US claimed
JP-2012500216-A 2012-01-05 JP claimed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US claimed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP claimed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO claimed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
EP-2318006-B1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS NIVALIS THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-9138427-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2015-09-22 US disclosed
US-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8691816-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents N30 PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
WO-2013006658-A1 TREATMENT OF ACETAMINOPHEN-INDUCED LIVER DAMAGE BY THE ADMINISTRATION OF MODULATORS OF NITRIC OXIDE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-01-10 WO disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents N30 PHARMACEUTICALS, LLC (US) 2011-06-16 US disclosed
EP-2318006-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 Pharmaceuticals, LLC (US) 2011-05-11 EP disclosed
WO-2010019903-A1 NOVEL PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE AS THERAPEUTIC AGENTS N30 PHARMACEUTICALS, LLC (US) 2010-02-18 WO 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-20140194425-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885CHEK2 3134/4885
US-20110144110-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ADH5 82/4885CYP2C19 548/4885CHEK2 3134/4885

“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.