SCHEMBL3752275

SCHEMBL3752275

Cc1ccc(S(=O)(=O)N2CCC3(CCN(c4ccc(OS(C)(=O)=O)cc4)C3=O)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
LIPE Q05469 14/20 0.46
ALDH1A1 P00352 1/20 0.37
EGLN1 Q9GZT9 2/20 0.37
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL747546 0.86 LIPE (0.64) KMT2ALIPE
SCHEMBL3744018 0.83 MAPK1 (0.51) KMT2ALIPEALDH1A1MEN1POLB
SCHEMBL744984 0.83 KMT2A (0.49) KMT2ALIPEALDH1A1EGLN1MEN1
SCHEMBL3743935 0.80 KMT2A (0.45) KMT2ALIPEALDH1A1EGLN1MEN1
SCHEMBL744082 0.79 LIPE (0.72) LIPEEGLN1
SCHEMBL10095 0.77 LIPE (0.44) LIPEEGLN1
SCHEMBL5596 0.75 HRH3 (0.48) LIPE
SCHEMBL3744661 0.75 LIPE (0.51) LIPEEGLN1
SCHEMBL3739136 0.75 LIPE (0.52) LIPEEGLN1
SCHEMBL3750922 0.74 LIPE (0.68) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP claimed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US claimed
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL KMT2A 830/4885LIPE 10/4885ALDH1A1 691/4885

“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.