SCHEMBL3095236

SCHEMBL3095236

COC(=O)c1cc2cccc(OS(=O)(=O)C(F)(F)F)c2cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MPL P40238 1/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 4/20 0.38

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
SCHEMBL7214605 0.90 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL5344077 0.81 KDM4E (0.61) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL2813446 0.81 NQO2 (0.44) KDM4EALDH1A1HPGDPOLBLMNA
SCHEMBL852699 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL31150577 0.80 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2239095 0.79 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL436278 0.78 L3MBTL1 (0.47) KDM4EALDH1A1HSD17B10KMT2AMAPT
SCHEMBL5351693 0.78 KDM4E (0.50) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL18763951 0.78 HSD11B1 (0.50) MPLKMT2AMEN1LMNATSHR
SCHEMBL8499741 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 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 (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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR GRIN2D 2576/4885GRIN2A 3444/4885GRIN2B 3125/4885

“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.