SCHEMBL4662026

SCHEMBL4662026

COC(=O)c1ccc(C=C2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
PIM1 P11309 1/20 0.58
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
MAPT P10636 5/20 0.50
PTPN1 P18031 1/20 0.50
OGA O60502 1/20 0.49
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL3105025 0.89 PIM1 (0.55) ALDH1A1PIM1CA1CA2TDP1
SCHEMBL2248299 0.89 ALDH1A1 (0.53) ALDH1A1PIM1CA1CA2TDP1
Hydrochloric Acid SCHEMBL20304724 0.87 PIM1 (0.54) ALDH1A1PIM1CA1CA2TDP1
SCHEMBL14030458 0.87 OGA (0.52) ALDH1A1PIM1CA1CA2TDP1
SCHEMBL19630469 0.86 ALDH1A1 (0.50) ALDH1A1PIM1CA1CA2TDP1
SCHEMBL6194728 0.85 OGA (0.50) ALDH1A1PIM1TDP1MAPTOGA
SCHEMBL20333563 0.84 PIM1 (0.57) ALDH1A1PIM1CA1CA2TDP1
SCHEMBL31611642 0.84 ALDH1A1 (0.56) ALDH1A1PIM1CA1CA2TDP1
Hydrochloric Acid SCHEMBL20304720 0.83 PIM1 (0.56) ALDH1A1PIM1CA1CA2TDP1
SCHEMBL20304900 0.82 PIM1 (0.52) ALDH1A1PIM1CA1CA2TDP1

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
EP-1364957-B1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-12-31 EP disclosed
US-7189702-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-03-13 US disclosed
US-7087579-B2 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-08-08 US disclosed
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof KISSEI PHARMACEUTICAL CO., LTD. 2006-06-29 US disclosed
US-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2004-07-08 US disclosed
EP-1364957-A1 GLYCOPYRANOSYLOXYPYRAZOLE DERIVATIVES AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2003-11-26 EP 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-20040132669-A1 Human sodium glucose co-transporter 2 (SGLT2) inhibitors; hypoglycemic agents, antidiabetic agents; obesity; prodrugs SLC5A2, SLC5A1, SLC2A1 ALDH1A1 596/4885PIM1 2294/4885CA1 3096/4885
US-20060142209-A1 Glucopyranosyloxypyrazole derivatives and medicinal use thereof SLC5A2, SLC5A1, UGGT1 ALDH1A1 570/4885PIM1 2196/4885CA1 3922/4885

“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.