SCHEMBL4534544

SCHEMBL4534544

O=C1COC2(CCN(S(=O)(=O)c3ccc(Br)cn3)CC2)CN1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.54
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPV4 Q9HBA0 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MGLL Q99685 1/20 0.33
CXCR3 P49682 1/20 0.32
CCR1 P32246 1/20 0.31
KCNJ1 P48048 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL4536313 0.85 FASN (0.63) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4540317 0.82 FASN (0.61) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4534373 0.82 FASN (0.51) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4542521 0.81 FASN (0.52) FASNMEN1MAPK1KMT2ATRPV4
SCHEMBL4536955 0.81 FASN (0.58) FASNALDH1A1MEN1MAPK1KMT2A
SCHEMBL4542291 0.80 FASN (0.51) FASNALDH1A1KMT2ASMN1; SMN2
SCHEMBL4539466 0.80 FASN (0.58) FASN
SCHEMBL4543638 0.80 FASN (0.80) FASN
SCHEMBL15544468 0.79 FASN (0.42) FASNMGLL
SCHEMBL4536199 0.79 FASN (0.52) FASNALDH1A1MEN1MAPK1KMT2A

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 1/4885ALDH1A1 199/4885MEN1 4423/4885

“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.