SCHEMBL3040501

SCHEMBL3040501

O=C(O)CCc1nn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDE P14735 1/20 0.55
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SLC9A1 P19634 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ FABP4 P15090 2/20 0.41
▸ FABP5 Q01469 2/20 0.41
▸ FABP3 P05413 1/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ PTGDR2 Q9Y5Y4 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 2/20 0.39

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
SCHEMBL3036911 0.76 PPARG (0.56) PPARGPPARDPPARAALDH1A1HSD17B10
SCHEMBL3030572 0.76 PPARG (0.62) PPARGPPARDPPARAALDH1A1HSD17B10
SCHEMBL15229716 0.76 HDAC6 (0.52) KDM4EALDH1A1HSD17B10TP53POLB
SCHEMBL6114039 0.73 ELANE (0.55) IDEALDH1A1SLC9A1PLK1LMNA
SCHEMBL9399982 0.73 AGTR1 (0.51) KDM4EALDH1A1HSD17B10POLBHPGD
SCHEMBL9980554 0.71 SLC9A1 (0.45) IDEALDH1A1HPGDSLC9A1PLK1
SCHEMBL3033927 0.71 HTR6 (0.71) IDEPPARGPPARDPPARALMNA
SCHEMBL30302187 0.71 RORC (0.54) KDM4EALDH1A1HSD17B10HPGDSLC9A1
SCHEMBL9949066 0.70 SLC9A1 (0.50) KDM4EALDH1A1POLBSLC9A1SMN1; SMN2
SCHEMBL27713361 0.69 PPARG (0.52) PPARGPPARDPPARAFABP4FABP5

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648867-B1 PPAR ACTIVE COMPOUNDS PLEXXIKON INC (US) 2013-09-04 — — EP disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
CN-102875441-A Plexxikon inc PLEXXIKON INC 2013-01-16 — — CN disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 — — US disclosed
US-7202266-B2 PPAR active compounds PLEXXIKON, INC. (US) 2007-04-10 — — US disclosed
CN-1845898-A PPAR active compounds PLEXXIKON INC (US) 2006-10-11 — — CN disclosed
EP-1648867-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2006-04-26 — — EP disclosed
US-20050288354-A1 PPAR active compounds PLEXXIKON, INC. 2005-12-29 — — US disclosed
US-20050038246-A1 PPAR active compounds PLEXXIKON, INC. 2005-02-17 — — US disclosed
WO-2005009958-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2005-02-03 — — 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 (4 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-20050038246-A1 PPAR active compounds PPARG, PPARD, PPARA IDE 2452/4885PPARG 1/4885PPARD 2/4885
US-20050288354-A1 PPAR active compounds PPARG, PPARD, PPARA IDE 2452/4885PPARG 1/4885PPARD 2/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA IDE 2452/4885PPARG 1/4885PPARD 2/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA IDE 2452/4885PPARG 1/4885PPARD 2/4885

“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.

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