SCHEMBL13619183

SCHEMBL13619183

O=C(Nc1cccc2cc(S(=O)(=O)O)cc(O)c12)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.81
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
NPC1 O15118 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
ING2 Q9H160 1/20 0.49
ENPP2 Q13822 2/20 0.48
CASP6 P55212 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDR P35968 1/20 0.45
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
TIMP3 P35625 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL10904451 0.99 APEX1 (0.79) APEX1CYP1A2CYP2C9NPC1CYP3A4
SCHEMBL26887682 0.91 APEX1 (0.67) APEX1NPC1RAB9AENPP2CASP6
SCHEMBL1413131 0.90 APEX1 (1.00) APEX1CYP1A2CYP2C9NPC1CYP3A4
SCHEMBL9411865 0.90 APEX1 (1.00) APEX1CYP1A2CYP2C9NPC1CYP3A4
SCHEMBL26887683 0.89 APEX1 (0.65) APEX1CYP1A2CYP2C9NPC1CYP3A4
SCHEMBL11427766 0.89 APEX1 (0.65) APEX1ENPP2CASP6CTDSP1MEN1
SCHEMBL10908350 0.88 APEX1 (0.63) APEX1ENPP2CASP6CTDSP1MEN1
SCHEMBL11440872 0.88 APEX1 (0.63) APEX1ENPP2CASP6CTDSP1MEN1
SCHEMBL11351805 0.88 APEX1 (0.63) APEX1CYP1A2ENPP2CASP6CTDSP1
SCHEMBL10904449 0.88 APEX1 (0.62) APEX1CYP1A2CYP2C9NPC1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619074-B2 Reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-11-17 US disclosed
US-7619074-B2 Reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-11-17 US disclosed
US-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group EVERLIGHT USA, INC. (US) 2009-07-09 US disclosed
US-20070231726-A1 Positive electrified charge control agent and positive electrified toner for developing electrostatic image ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-04 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 (1 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-20090176972-A1 Novel reactive dyestuff with N,N-dialkylamino bridge group SRM, PADI1, NOS1 APEX1 697/4885CYP1A2 89/4885CYP2C9 1080/4885

“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.