SCHEMBL4561941

SCHEMBL4561941

O=C1COC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cc[nH]c5c4)cc3F)CC2)CN1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.55
TGFBR1 P36897 1/20 0.34
FEN1 P39748 4/20 0.33
AXL P30530 3/20 0.33
TYRO3 Q06418 3/20 0.33
MERTK Q12866 3/20 0.33
FLT3 P36888 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADRB3 P13945 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ALOX5AP P20292 3/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
MMP13 P45452 1/20 0.31
HSD11B1 P28845 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
SCHEMBL4562054 0.94 FASN (0.55) FASNTGFBR1FEN1AXLTYRO3
SCHEMBL4562641 0.91 FASN (0.51) FASNTGFBR1FEN1NPC1RAB9A
SCHEMBL4539116 0.90 FASN (0.56) FASNADRB3
SCHEMBL4560948 0.90 FASN (0.55) FASNADRB3
SCHEMBL4542481 0.89 FASN (0.57) FASNTGFBR1NPC1RAB9AADRB3
SCHEMBL4560675 0.89 FASN (0.70) FASNADRB3
SCHEMBL4561709 0.87 FASN (0.49) FASNFEN1ADRB3ALOX5APPDE3B
SCHEMBL4560041 0.87 FASN (0.57) FASNFEN1ADRB3ALOX5APPDE3B
SCHEMBL4539466 0.86 FASN (0.58) FASNFEN1ADRB3PDE3BPDE3A
SCHEMBL4540579 0.86 FASN (0.59) FASNNPC1RAB9A

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 12 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 claimed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US claimed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 WO claimed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
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
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
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 (2 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885TGFBR1 4882/4885FEN1 3068/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885TGFBR1 4562/4885FEN1 701/4885

“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.