SCHEMBL4539655

SCHEMBL4539655

CCN1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc5cc(OC)cnc5c4)cc3)CC2)OCC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.62
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
NAAA Q02083 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2B P29275 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
METAP2 P50579 1/20 0.35

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
SCHEMBL4540905 0.89 FASN (0.64) FASNALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4541212 0.88 FASN (0.55) FASNKDM4EALDH1A1HSD17B10USP2
SCHEMBL4541537 0.87 FASN (0.54) FASNKDM4EALDH1A1HSD17B10USP2
SCHEMBL4538670 0.86 FASN (0.73) FASNKDM4EALDH1A1HSD17B10USP2
SCHEMBL4542058 0.86 FASN (0.51) FASNKDM4EALDH1A1HSD17B10USP2
SCHEMBL4543103 0.85 FASN (0.73) FASNALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4537579 0.79 FASN (0.71) FASNALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4540794 0.78 FASN (0.68) FASNKDM4EALDH1A1HSD17B10MEN1
SCHEMBL14720281 0.77 FASN (0.37) FASN
SCHEMBL4533535 0.77 FASN (1.00) FASNALDH1A1MEN1KMT2AL3MBTL1

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 13 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
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 2790/4885KDM4E 3693/4885ALDH1A1 934/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885KDM4E 2007/4885ALDH1A1 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.