SCHEMBL2435263

SCHEMBL2435263

C[C@H]1C[C@](O)(C(Cl)(Cl)Cl)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
HTR2C P28335 1/20 0.47
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ACE2 Q9BYF1 2/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
CYP2C19 P33261 1/20 0.41

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
SCHEMBL21241492 0.82 HTR2C (0.52) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL2438212 0.81 HTR2C (0.48) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL14248396 0.80 HTR2C (0.50) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL1643460 0.79 HTR2C (0.51) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL7714230 0.78 HTR2C (0.48) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL20656916 0.77 PDK1 (0.49) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL12293392 0.76 SMN1; SMN2 (0.47) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL28411733 0.76 HTR2C (0.59) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL25841627 0.76 HTR2C (0.59) PDK1PDK2PDK3PDK4HTR2C
SCHEMBL8492254 0.76 PDK1 (0.46) PDK1PDK2PDK3PDK4HTR2C

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
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
US-20130150376-A1 Novel Sultam Compounds PFIZER INC. (US) 2013-06-13 US disclosed
WO-2012172449-A1 LACTAMS AS BETA SECRETASE INHIBITORS PFIZER INC. (US) 2012-12-20 WO disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed
WO-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B PDK1 3030/4885PDK2 3827/4885PDK3 3723/4885
US-20130150376-A1 Novel Sultam Compounds SULT2A1, SULT1A1, SULT1E1 PDK1 566/4885PDK2 556/4885PDK3 621/4885

“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.