SCHEMBL1553828

SCHEMBL1553828

Cc1cccc(-c2nc(C)c(CO)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 3/20 0.44
PBRM1 Q86U86 1/20 0.44
VDR P11473 7/20 0.44
PPARD Q03181 4/20 0.44
THRB P10828 3/20 0.43
ESR1 P03372 2/20 0.43
THRA P10827 2/20 0.43
RXRA P19793 2/20 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
SCHEMBL9833185 0.85 IKBKB (0.50) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL5312815 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL6377222 0.83 KDM4E (0.51) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL14019461 0.80 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL8989246 0.80 IKBKB (0.49) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL13767787 0.78 MAPT (0.52) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL9832652 0.77 NOTUM (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL1553059 0.76 VDR (0.46) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL9831245 0.74 KDM4E (0.52) NPC1RAB9ASMN1; SMN2HPGDTSHR
SCHEMBL9831294 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735303-B1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMA INC (US) 2011-04-27 EP disclosed
EP-1735303-B1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMA INC (US) 2011-04-27 EP disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-7576109-B2 1,3,4-oxadiazol-2-ones as PPAR delta modulators and their use thereof AVENTIS PHARMACEUTICALS INC. (US) 2009-08-18 US disclosed
US-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
US-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
US-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-15 US disclosed
EP-1735303-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF Aventis Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
WO-2005097762-A2 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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-20070060626-A1 1,3,4-OXADIAZOL-2-ONES AS PPAR DELTA MODULATORS AND THEIR USE THEREOF PPARD, PPARA, PPARG NPC1 1339/4885RAB9A 4304/4885SMN1; SMN2 778/4885

“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.