SCHEMBL2476264

SCHEMBL2476264

Cc1ccc(S(=O)(=O)N2CCC(CN3C(c4ncccc4C)CCCC3c3ncccc3C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.53
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP3A4 P08684 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 2/20 0.44
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8300548 0.77 GAA (0.45) KDM4EGAALMNAMAPT
SCHEMBL8304371 0.76 OPRL1 (0.40)
SCHEMBL3219576 0.73 TP53 (0.58) HSD11B1ALDH1A1SMN1; SMN2PKMHTT
SCHEMBL3207513 0.73 HSD11B1 (0.50) HSD11B1POLB
SCHEMBL3221578 0.71 TP53 (0.62) HSD11B1ALDH1A1GAASMN1; SMN2HTT
SCHEMBL13611565 0.71 TRPV1 (0.39) HSD11B1GAA
SCHEMBL2474837 0.71 TRPV1 (0.39) HSD11B1GAA
Hydroxyurea SCHEMBL2470013 0.71 KDM4E (0.36) KDM4E
SCHEMBL8306821 0.70 CXCR4 (0.45)
SCHEMBL12169328 0.69 ALDH1A1 (0.63) ALDH1A1KDM4ECYP3A4GAAHPGD

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
EP-2664617-A1 Method of making a 2,6-diaryl piperidine derivative Genzyme Corporation (US) 2013-11-20 EP disclosed
EP-2374804-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy Genzyme Corporation (US) 2011-10-12 EP disclosed
US-7550484-B2 Chemokine receptor binding heterocyclic compounds with enhanced efficacy GENZYME CORPORATION (US) 2009-06-23 US disclosed
US-7501518-B2 Methods of making 2,6-diaryl piperidine derivatives GENZYME CORPORATION (US) 2009-03-10 US disclosed
US-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ANORMED CORPORATION (CA) 2005-07-14 US disclosed
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy ANORMED CORPORATION (CA) 2005-03-17 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 (2 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-20050154201-A1 Methods of making 2,6-diaryl piperidine derivatives ALDH7A1, DPYD, ALDH1A1 HSD11B1 1436/4885ALDH1A1 3/4885KDM4E 1536/4885
US-20050059702-A1 Chemokine receptor binding heterocyclic compounds with enhanced efficacy CXCR4, CXCR1, CCR5 HSD11B1 1206/4885ALDH1A1 290/4885KDM4E 3731/4885

“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.