SCHEMBL4985580

SCHEMBL4985580

[CH2]Cc1ccc(Oc2ccc(S(=O)(=O)N=[N+]=[N-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 5/20 0.38
LMNA P02545 5/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
MDM2 Q00987 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.34
BCL2L1 Q07817 2/20 0.34
BAK1 Q16611 2/20 0.34
MMP2 P08253 6/20 0.33
MMP9 P14780 6/20 0.33
MMP14 P50281 6/20 0.33
MMP8 P22894 5/20 0.33

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
SCHEMBL26812 0.87 HTT (0.47) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL579486 0.82 CA12 (0.46) HTTALDH1A1TP53TSHRMMP2
SCHEMBL22033289 0.82 HTT (0.42) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL17705376 0.77 SOS1 (0.49) HTTSMN1; SMN2LMNABCL2L1MMP2
SCHEMBL9051659 0.77 BCL2L1 (0.39) HTTSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL10823807 0.76 CA1 (0.43) HTTALDH1A1LMNAMAPTBCL2L1
SCHEMBL10222711 0.74 BCL2L1 (0.40) HTTALDH1A1MAPTTSHRBCL2L1
SCHEMBL14805171 0.74 BCL2L1 (0.37) HTTALDH1A1MAPTBCL2L1BAK1
SCHEMBL12571917 0.74 BCL2L1 (0.37) HTTALDH1A1MAPTBCL2L1BAK1
SCHEMBL1683275 0.74 F2 (0.54) ALDH1A1NPC1RAB9AMAPTMMP2

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-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 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 (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-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 HTT 3444/4885SMN1; SMN2 2464/4885ALDH1A1 2047/4885

“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.