SCHEMBL3084153

SCHEMBL3084153

CCOC(CN(c1ccc(C)c(Br)c1)S(=O)(=O)c1ccccc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.45
MAPK1 P28482 1/20 0.45
MCL1 Q07820 6/20 0.44
BCL2L1 Q07817 4/20 0.44
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 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
SCHEMBL27751266 0.85 MCL1 (0.42) USP2MAPK1MCL1BCL2L1GLA
SCHEMBL10193905 0.85 MCL1 (0.59) MCL1BCL2L1GLAATM
SCHEMBL25929799 0.68 KEAP1 (0.43) MMP2MMP9ALDH1A1TSHRLMNA
SCHEMBL850109 0.68 ALDH1A1 (0.38) MMP2MMP9ALDH1A1LMNA
SCHEMBL11427090 0.66 ESR1 (0.52) MAPK1ALDH1A1KMT2ATSHRCNR1
SCHEMBL21456938 0.65 ESR1 (0.36) MAPK1KMT2AMEN1TSHRLMNA
SCHEMBL15553846 0.65 MEN1 (0.50) MAPK1ATMALDH1A1KMT2AMEN1
SCHEMBL17030819 0.64 CNR2 (0.64) BACE1TSHRCNR1CNR2
SCHEMBL15980998 0.64 MCL1 (0.63) MAPK1MCL1BCL2L1ATMBACE1
SCHEMBL8717386 0.64 LMNA (0.48) MAPK1ALDH1A1TSHRLMNA

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 USP2 4850/4885MAPK1 1228/4885MCL1 4416/4885

“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.