SCHEMBL4424440

SCHEMBL4424440

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CC2C([CH]c3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
LIPE Q05469 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM1A O60341 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 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
SCHEMBL4421354 0.88 SLC6A9 (0.43) HSD11B1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4431014 0.86 LMNA (0.43) MEN1KMT2AKDM1ASMN1; SMN2GAA
SCHEMBL4421900 0.83 LMNA (0.40) MEN1KMT2AKDM1ASMN1; SMN2GAA
SCHEMBL4418783 0.82 KMT2A (0.42) MEN1KMT2AKDM1ASMN1; SMN2PIK3CA
SCHEMBL4421518 0.80 MAPT (0.42) HSD11B1LIPEMEN1KMT2ASMN1; SMN2
SCHEMBL4421514 0.79 MAPT (0.47) LIPEMEN1KMT2ASMN1; SMN2GAA
SCHEMBL4420883 0.76 LMNA (0.45) SMN1; SMN2PIK3CAHDAC1GAAMAPT
SCHEMBL4430192 0.76 MCOLN3 (0.44) MEN1KMT2AKDM1ASMN1; SMN2GAA
SCHEMBL4424423 0.74 ALDH1A1 (0.40) KDM1ASMN1; SMN2AKT1PIK3CAMTOR
SCHEMBL28485534 0.72 LMNA (0.69) MEN1KMT2ASMN1; SMN2GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 HSD11B1 2072/4885LIPE 4029/4885MEN1 4107/4885

“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.