SCHEMBL4319781

SCHEMBL4319781

C[C@@H](O)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.55
ALOX15 P16050 3/20 0.47
ALOX12 P18054 1/20 0.47
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
SIRT6 Q8N6T7 1/20 0.45
EPAS1 Q99814 1/20 0.45
APP P05067 1/20 0.43
MAPT P10636 6/20 0.43
RECQL P46063 5/20 0.43
TDP1 Q9NUW8 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
CYP3A4 P08684 2/20 0.43
BLM P54132 2/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4457398 1.00 GPR35 (0.55) GPR35ALOX15ALOX12GRM8GRM4
SCHEMBL5595045 0.87 GPR35 (0.56) GPR35ALOX15ALOX12GRM8GRM4
SCHEMBL11032472 0.85 GPR35 (0.58) GPR35ALOX15ALOX12GRM8GRM4
SCHEMBL2883857 0.82 TSHR (0.53) GPR35ALOX15ALOX12EPAS1APP
SCHEMBL26352809 0.82 TSHR (0.53) GPR35ALOX15ALOX12EPAS1APP
SCHEMBL26352787 0.82 TSHR (0.53) GPR35ALOX15ALOX12EPAS1APP
SCHEMBL15887339 0.81 GPR35 (0.50) GPR35ALOX15ALOX12GRM8GRM4
SCHEMBL13898660 0.81 HPGD (0.50) GPR35ALOX15ALOX12GRM8GRM4
SCHEMBL4142382 0.81 GRM8 (0.50) GPR35GRM8GRM4SIRT6CYP1A2
SCHEMBL24347083 0.81 TSHR (0.55) EPAS1APPMAPTTDP1HPGD

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
EP-1793823-B1 PHOSPHATE CONTAINING PRODRUGS OF SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS VION PHARMACEUTICALS INC (US) 2012-08-08 EP disclosed
US-20090075945-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents VION PHARMACEUTICALS, INC. (US) 2009-03-19 US disclosed
US-7405317-B2 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents VION PHARMACEUTICALS INC. (US) 2008-07-29 US disclosed
EP-1793823-A2 SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS Vion Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
US-20060089332-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents NANOSHIFT, LLC 2006-04-27 US disclosed
WO-2006034266-A2 SULFONYL HYDRAZINES AS HYPOXIA-SELECTIVE ANTINEOPLASTIC AGENTS VION PHARMACEUTICALS, INC. (US) 2006-03-30 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-20060089332-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents HIF1AN, HIF1A, EGLN3 GPR35 861/4885ALOX15 1805/4885ALOX12 2177/4885
US-20090075945-A1 Phosphate-bearing prodrugs of sulfonyl hydrazines as hypoxia-selective antineoplastic agents HIF1AN, HIF1A, SLC20A1 GPR35 979/4885ALOX15 2960/4885ALOX12 3284/4885

“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.