SCHEMBL3083574

SCHEMBL3083574

CC(C)C(O)c1cc(Br)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.45
HPGD P15428 3/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
TDP1 Q9NUW8 5/20 0.40
MAPT P10636 5/20 0.40
RECQL P46063 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
CES2 O00748 1/20 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
SCHEMBL9307640 0.84 PDE2A (0.41) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL2984801 0.83 ALOX15 (0.48) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL6273718 0.82 ALOX15 (0.46) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL282835 0.81 GABRA1 (0.58) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL31182212 0.81 GABRA1 (0.58) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL15332748 0.80 PDE2A (0.44) GABRA1GABRB1KDM4ELMNAKMT2A
SCHEMBL20855720 0.78 ALOX15 (0.46) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL20855723 0.78 ALOX15 (0.46) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL1861859 0.76 RORC (0.58) ALOX15HPGDGABRA1GABRB1TDP1
SCHEMBL16423207 0.76 PDE2A (0.41) ALOX15GABRA1GABRB1LMNAKMT2A

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
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2068869-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 WO disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 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-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 ALOX15 1827/4885HPGD 1509/4885GABRA1 3045/4885

“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.