SCHEMBL3746722

SCHEMBL3746722

O=C1N(c2ccc(C(O)C(F)F)cc2)CCC12CCN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 10/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
EGLN1 Q9GZT9 1/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL748960 0.89 LIPE (0.54) LIPEKMT2AMEN1EGLN1ALDH1A1
SCHEMBL3744461 0.87 LIPE (0.52) LIPEKMT2AMEN1EGLN1ALDH1A1
SCHEMBL746101 0.83 LIPE (0.56) LIPEKMT2AMEN1EGLN1ALDH1A1
SCHEMBL3743970 0.81 LIPE (0.54) LIPEKMT2AMEN1EGLN1ALDH1A1
SCHEMBL3744657 0.81 LIPE (0.58) LIPEKMT2AMEN1EGLN1ALDH1A1
SCHEMBL3745588 0.81 LIPE (0.79) LIPEKMT2AMEN1
SCHEMBL744165 0.81 LIPE (0.56) LIPEKMT2AMEN1EGLN1L3MBTL1
SCHEMBL3741527 0.81 LIPE (0.58) LIPEKMT2AMEN1EGLN1ALDH1A1
SCHEMBL3739110 0.80 LIPE (0.61) LIPEKMT2AMEN1EGLN1
SCHEMBL3739013 0.79 LIPE (0.61) LIPEKMT2AMEN1EGLN1

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 8 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

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 LIPE 10/4885KMT2A 830/4885MEN1 2464/4885

“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.