SCHEMBL4533587

SCHEMBL4533587

CC1CC2(CCN1S(=O)(=O)c1ccc(Br)cc1)CN(C1CC1)C(=O)CO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.47
AKR1C3 P42330 5/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD11B1 P28845 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
MMP2 P08253 3/20 0.34
MAPT P10636 1/20 0.33
ANPEP P15144 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32

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 0.83 FASN (0.63) FASNALDH1A1L3MBTL1
SCHEMBL4540282 0.80 FASN (0.77) FASNHSD11B1
SCHEMBL4536955 0.79 FASN (0.58) FASNALDH1A1L3MBTL1
SCHEMBL4538564 0.76 FASN (0.55) FASNALDH1A1L3MBTL1MMP2
SCHEMBL4566344 0.76 FASN (0.45) FASNALDH1A1L3MBTL1HSD11B1MMP2
SCHEMBL4542291 0.73 FASN (0.51) FASNALDH1A1MMP2MMP1MMP3
SCHEMBL4536273 0.72 FASN (0.57) FASNALDH1A1L3MBTL1MAPT
SCHEMBL14720313 0.72 HSD11B1 (0.45) FASNHSD11B1
SCHEMBL4542521 0.71 FASN (0.52) FASN
SCHEMBL4534544 0.71 FASN (0.54) FASNAKR1C3ALDH1A1L3MBTL1

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 1/4885AKR1C3 358/4885ALDH1A1 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.