SCHEMBL4540544

SCHEMBL4540544

O=C1COC2(CCN(S(=O)(=O)c3cc(F)c(Br)cc3F)CC2)CN1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.50
PKM P14618 2/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 2/20 0.36
PKLR P30613 1/20 0.32
CCR1 P32246 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL4534373 0.87 FASN (0.51) FASNPKMNPC1RAB9ACNR1
SCHEMBL4539996 0.86 FASN (0.57) FASNPKMNPC1RAB9APKLR
SCHEMBL4533595 0.84 FASN (0.55) FASNPKMNPC1RAB9APOLB
SCHEMBL4540579 0.81 FASN (0.59) FASNPKMNPC1RAB9ACNR1
SCHEMBL4540336 0.81 FASN (0.48) FASNNPC1RAB9ACCR1HTT
SCHEMBL4542521 0.79 FASN (0.52) FASNPKMCCR1HTTSMN1; SMN2
SCHEMBL4533528 0.79 FASN (0.50) FASNHTTSMN1; SMN2MEN1ALDH1A1
SCHEMBL4536297 0.78 FASN (0.58) FASNPKMPOLBHTTSMN1; SMN2
SCHEMBL4542291 0.78 FASN (0.51) FASNPKMSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4536313 0.78 FASN (0.63) FASNPKMPOLBHTTSMN1; SMN2

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 1/4885PKM 2189/4885NPC1 603/4885

“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.