SCHEMBL6442875

SCHEMBL6442875

COc1ccc(C(O)c2cccc(Br)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ACP3 P15309 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BACE1 P56817 1/20 0.40
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
AOC3 Q16853 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
SCHEMBL18529828 0.88 AOC3 (0.50) MAPTMAOBAOC3
SCHEMBL31476413 0.88 AOC3 (0.50) MAPTMAOBAOC3
SCHEMBL6598474 0.83 IGF1R (0.50) TSHRMAPK1MAOBAOC3
SCHEMBL1539284 0.83 L3MBTL1 (0.46) KMT2AMEN1MAOB
SCHEMBL5670372 0.82 MAPK1 (0.55) MAPTALDH1A1KMT2AGAATSHR
SCHEMBL241692 0.82 IDO1 (0.47) ALDH1A1MAPK1CYP3A4CYP2D6IDO1
SCHEMBL31476387 0.82 IDO1 (0.47) ALDH1A1MAPK1CYP3A4CYP2D6IDO1
SCHEMBL10546012 0.81 BRD4 (0.48) MAPTALDH1A1ACP3KMT2AGAA
SCHEMBL17064331 0.81 ALDH1A1 (0.53) ALDH1A1ACP3KMT2AGAATSHR
SCHEMBL8806183 0.81 ALDH1A1 (0.47) MAPTALDH1A1KMT2AGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936590-B2 C-aryl glucoside SGLT2 inhibitors and method BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
EP-1224195-B1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-05-18 EP disclosed
US-20030114390-A1 C-aryl glucoside SGLT2 inhibitors and method ASTRAZENECA AB (SE) 2003-06-19 US disclosed
EP-1224195-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP disclosed
US-6414126-B1 ANTIDIABETIC, ANTIOBESITY, ANTILIPEMIC, ANTIATHEROSCLEROTIC, ANTICOAGULANT, AND HYPOTENSIVE AGENTS; MARKUSH ENCOMPASSING DAPAGLIFOZIN AND DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
WO-2001027128-A1 C-ARYL GLUCOSIDE SGLT2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-19 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-20030114390-A1 C-aryl glucoside SGLT2 inhibitors and method SLC5A2, SLC5A1, UGGT1 MAPT 1540/4885ALDH1A1 641/4885ACP3 1277/4885

“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.