SCHEMBL4533535

SCHEMBL4533535

CCN1CC2(CCN(S(=O)(=O)c3ccc(-c4ccc5occc5c4)cc3)CC2)OCC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 1.00
CA2 P00918 9/20 0.41
CA12 O43570 7/20 0.39
CHRM5 P08912 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 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
SCHEMBL4540034 0.84 FASN (0.72) FASNCA2CA12CHRM5SMN1; SMN2
SCHEMBL4543103 0.80 FASN (0.73) FASNCHRM5SMN1; SMN2MEN1ALDH1A1
SCHEMBL4536336 0.79 FASN (0.65) FASNSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL4540905 0.78 FASN (0.64) FASNSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL4539655 0.77 FASN (0.62) FASNSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4537579 0.73 FASN (0.71) FASNCHRM5SMN1; SMN2MEN1ALDH1A1
SCHEMBL4538728 0.73 FASN (0.57) FASNCA2CA12
SCHEMBL4541666 0.72 FASN (0.55) FASNSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL4538689 0.71 FASN (0.67) FASNMEN1ALDH1A1MAPK1KMT2A
SCHEMBL4540794 0.70 FASN (0.68) FASNCHRM5SMN1; SMN2MEN1ALDH1A1

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 2790/4885CA2 716/4885CA12 755/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885CA2 3115/4885CA12 4704/4885

“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.