SCHEMBL4991971

SCHEMBL4991971

O=S(=O)(O)c1ccnc2c1ccc1c(S(=O)(=O)O)ccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.58
CYP1A2 P05177 2/20 0.54
HIF1A Q16665 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
IDE P14735 1/20 0.41
DUSP3 P51452 1/20 0.41
CCR6 P51684 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
FTO Q9C0B1 2/20 0.41
TET2 Q6N021 1/20 0.40

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
SCHEMBL16361068 0.89 CCR1 (0.62) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL16361000 0.86 COMT (0.58) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL28528905 0.84 COMT (0.48) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL7558309 0.81 COMT (0.76) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL14601667 0.78 COMT (0.77) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL28170201 0.77 COMT (0.42) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL28978115 0.77 COMT (0.57) COMTCYP1A2HIF1AALOX15HSD17B10
Lithium SCHEMBL4624679 0.76 COMT (0.75) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL4624672 0.76 COMT (0.75) COMTCYP1A2HIF1AALOX15HSD17B10
SCHEMBL29625847 0.76 COMT (0.44) COMTCYP1A2HIF1AALOX15HSD17B10

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-10203333-B2 Electronically neutral metal complexes as biological labels RUBIPY SCIENTIFIC, INC. (CA) 2019-02-12 US disclosed
EP-1681282-B1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE SUMITOMO CHEMICAL CO (JP) 2013-01-23 EP disclosed
US-7393971-B2 Method for producing 3,3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-01 US disclosed
US-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2007-04-05 US disclosed
EP-1681282-A1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE Sumitomo Chemical Company, Limited (JP) 2006-07-19 EP disclosed
US-6274806-B1 DYE SENSITIZED ELECTRODE OF A SUBSTRATE WITH ELECTRICAL CONDUCTIVE SURFACE, AN OXIDE SEMICONDUCTOR FILM FORMED ON IT, WHICH SUPPORTS A PLATINUM COMPLEX AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2001-08-14 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 (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-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate AOC3, PDXK, AIPL1 COMT 2528/4885CYP1A2 33/4885HIF1A 2444/4885
US-10203333-B2 Electronically neutral metal complexes as biological labels MB, MCU, LETM1 COMT 1964/4885CYP1A2 3522/4885HIF1A 2760/4885

“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.