SCHEMBL744351

SCHEMBL744351

O=C1NCCC12CCN(S(=O)(=O)c1ccccc1C(F)(F)F)CC2

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.46
NR3C1 P04150 1/20 0.43
GBA1 P04062 1/20 0.43
HSD11B1 P28845 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
CHRM4 P08173 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LIPE Q05469 1/20 0.40

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
SCHEMBL743165 0.82 LIPE (0.48) HTTTSHRMAPK1CDK8CHRM4
SCHEMBL2637421 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HSD11B1L3MBTL1
SCHEMBL4551056 0.78 KMT2A (0.79) KMT2AMEN1ALDH1A1GBA1LMNA
SCHEMBL30150292 0.78 KMT2A (0.79) KMT2AMEN1ALDH1A1GBA1LMNA
SCHEMBL2638201 0.78 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HSD11B1TSHR
SCHEMBL2637199 0.77 MEN1 (0.49) KMT2AMEN1ALDH1A1HSD11B1TSHR
SCHEMBL2637353 0.77 JAK1 (0.48) KMT2AMEN1ALDH1A1GBA1LMNA
SCHEMBL2637598 0.77 HTT (0.54) KMT2AMEN1HSD11B1LMNAHTT
SCHEMBL31684031 0.76 KMT2A (0.87) KMT2AMEN1ALDH1A1GBA1LMNA
SCHEMBL2637266 0.76 JAK1 (0.47) KMT2AMEN1ALDH1A1GBA1TSHR

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 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
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO 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 KMT2A 830/4885MEN1 2464/4885ALDH1A1 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.