Sugi Predict

Sugi Predict / Compounds / SCHEMBL2790618

SCHEMBL2790618

SCHEMBL2790618

CSc1cc(C(C)(C)C)c(O)c(C(=O)Nc2ccc(S(=O)(=O)C(F)(F)F)cc2C#N)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ AR P10275 5/20 0.33
▸ GHSR Q92847 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ EPAS1 Q99814 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2788098 0.88 MEN1 (0.36) KMT2AMEN1CXCR2CCR8AR
SCHEMBL2787636 0.88 MEN1 (0.37) KMT2AMEN1CCR8RXFP1ALDH1A1
SCHEMBL2788077 0.87 MEN1 (0.42) KMT2AMEN1SLC22A12CXCR2CCR8
SCHEMBL2790329 0.87 MEN1 (0.35) KMT2AMEN1CXCR2CCR8AR
SCHEMBL2788957 0.86 MEN1 (0.43) KMT2AMEN1
SCHEMBL2789337 0.86 CA2 (0.42) KMT2AMEN1RXFP1EPAS1ALDH1A1
SCHEMBL2789217 0.86 MEN1 (0.34) KMT2AMEN1CXCR2CCR8AR
SCHEMBL2787825 0.86 RXFP1 (0.41) KMT2AMEN1ARGHSRCYP2C19
SCHEMBL2790852 0.85 RXFP1 (0.40) KMT2AMEN1RXFP1ALDH1A1LMNA
SCHEMBL13475305 0.83 EPAS1 (0.35) KMT2AMEN1SLC22A12CXCR2CCR8

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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 — — US claimed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 — — EP claimed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 — — WO claimed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 — — US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 — — EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 — — 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A KMT2A 3302/4885MEN1 4083/4885XDH 3486/4885

“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.