SCHEMBL4906326

SCHEMBL4906326

COc1cc(CCNS(=O)(=O)c2cc(C(=O)O)c(C)cc2OC)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
HTT P42858 2/20 0.53
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CTSV O60911 2/20 0.49
CTSL P07711 2/20 0.49
BCHE P06276 1/20 0.49
SFRP1 Q8N474 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
APP P05067 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL14198656 0.88 HTT (0.54) HTTALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4906055 0.87 HTT (0.59) MTNR1AMTNR1BHTTALDH1A1SMN1; SMN2
SCHEMBL4902498 0.82 ALDH1A1 (0.58) HTTALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL4904495 0.81 HTT (0.59) MTNR1AMTNR1BHTTALDH1A1SMN1; SMN2
SCHEMBL7825765 0.77 CTSV (0.58) SMN1; SMN2CTSVCTSLHDAC1
SCHEMBL4906333 0.76 NPC1 (0.48) ALDH1A1SMN1; SMN2CTSVCTSLAPP
SCHEMBL11170701 0.75 ALDH1A1 (0.51) HTTALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL29123955 0.75 MAPT (0.72) HTTALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL30028243 0.74 MTNR1A (0.86) MTNR1AMTNR1BALDH1A1KDM4EBCHE
SCHEMBL4618198 0.74 SFRP1 (0.72) HTTALDH1A1SMN1; SMN2SFRP1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD MTNR1A 185/4885MTNR1B 247/4885HTT 711/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD MTNR1A 179/4885MTNR1B 255/4885HTT 696/4885

“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.