SCHEMBL2916587

SCHEMBL2916587

COC(=O)C(C)(C)Oc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 4/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 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
SCHEMBL4576129 0.86 CYP1A2 (0.41) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL30609812 0.86 CYP1A2 (0.41) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL31227691 0.83 PPARA (0.54) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL3841972 0.83 PPARA (0.54) CYP1A2MAPTGAARECQLKMT2A
SCHEMBL13069642 0.83 CES2 (0.49) MAPTKMT2ALMNASMN1; SMN2MEN1
SCHEMBL4607275 0.83 CYP3A4 (0.51) CYP1A2MAPTKMT2APPARGPPARA
SCHEMBL31357666 0.83 PPARA (0.61) CYP1A2MAPTLMNAKDM4EPPARG
SCHEMBL421202 0.83 PPARA (0.61) CYP1A2MAPTLMNAKDM4EPPARG
SCHEMBL14122304 0.82 LMNA (0.50) MAPTGAAKMT2ALMNASMN1; SMN2
SCHEMBL5738818 0.81 TP53BP1 (0.43) KMT2APPARGPPARAMEN1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
US-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2009-04-02 US disclosed
US-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2009-04-02 US disclosed
US-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2009-04-02 US disclosed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 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 (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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA CYP1A2 416/4885MAPT 3926/4885GAA 3703/4885
US-20090088368-A1 COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS PPARG, PPARA, PPARD CYP1A2 3138/4885MAPT 3902/4885GAA 1247/4885

“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.