SCHEMBL4533607

SCHEMBL4533607

CC1(N2CC3(CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)OCC2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
GLA P06280 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NEK2 P51955 1/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL4541813 0.96 FASN (0.44) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4543321 0.85 SIGMAR1 (0.48) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL15238608 0.84 FASN (0.43) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4536302 0.84 FASN (0.44) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4543563 0.83 FASN (0.44) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4536429 0.83 ALDH1A1 (0.44) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4536900 0.82 FASN (0.46) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4536336 0.82 FASN (0.65) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4541664 0.82 FASN (0.46) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL4541666 0.80 FASN (0.55) FASNSMN1; SMN2ALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO 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-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885SMN1; SMN2 4521/4885ALDH1A1 199/4885

“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.