SCHEMBL2906846

SCHEMBL2906846

Cc1cc(OC(C)(C)C(=O)O)c(C)cc1OCCCNc1nc(-c2ccc(-c3ccccc3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
STAT1 P42224 1/20 0.48
WNT3A P56704 3/20 0.45
PTPN2 P17706 4/20 0.45
PTPN1 P18031 4/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.43
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
GAA P10253 2/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HDAC3 O15379 1/20 0.40

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
SCHEMBL2900685 0.91 PTPN1 (0.46) RAB9ANPC1ALDH1A1MAPTWNT3A
SCHEMBL2901181 0.90 PPARD (0.47) RAB9ANPC1ALDH1A1MAPTSTAT1
SCHEMBL2901183 0.90 PPARD (0.49) PTPN2PTPN1PPARDPPARAHDAC3
SCHEMBL2901356 0.88 WNT3A (0.47) RAB9ANPC1ALDH1A1MAPTWNT3A
SCHEMBL2900976 0.88 PPARD (0.47) RAB9ANPC1ALDH1A1MAPTSTAT1
SCHEMBL2906603 0.88 PPARD (0.48) ALDH1A1MEN1KMT2APPARDPPARA
SCHEMBL2906469 0.87 PPARD (0.49) PPARDPPARAHDAC3HDAC4HDAC1
SCHEMBL2901188 0.81 RAB9A (0.46) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2906321 0.80 ALDH1A1 (0.43) RAB9AALDH1A1MAPTMEN1KMT2A
SCHEMBL2904024 0.78 PPARD (0.57) PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP claimed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US claimed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP claimed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO claimed
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 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-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR PPARD, PPARG, PPARA RAB9A 4182/4885NPC1 973/4885ALDH1A1 815/4885

“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.