SCHEMBL4560548

SCHEMBL4560548

COc1cc(S(=O)(=O)N2CCC3(CC2)CN(C2CC2)C(=O)CO3)ccc1-c1ccc2cc[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.40
ADRB3 P13945 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MCOLN3 Q8TDD5 2/20 0.33
TSHR P16473 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL4543319 0.91 FASN (0.57) FASNADRB3TGFBR1
SCHEMBL4562702 0.90 FASN (0.57) FASNADRB3POLBSMN1; SMN2
SCHEMBL4560041 0.89 FASN (0.57) FASNADRB3SMN1; SMN2ALDH1A1TSHR
SCHEMBL4560675 0.88 FASN (0.70) FASNL3MBTL1ADRB3MAPK1SMN1; SMN2
SCHEMBL4541959 0.84 FASN (0.79) FASNL3MBTL1ADRB3TP53SMN1; SMN2
SCHEMBL4534393 0.83 FASN (0.62) FASNL3MBTL1ADRB3MAPK1SMN1; SMN2
SCHEMBL4542481 0.83 FASN (0.57) FASNL3MBTL1ADRB3MAPK1SMN1; SMN2
SCHEMBL4533515 0.82 FASN (0.55) FASNL3MBTL1GPBAR1MAPK1POLB
SCHEMBL4560948 0.82 FASN (0.55) FASNADRB3ALDH1A1
SCHEMBL4561698 0.82 FASN (0.69) FASNL3MBTL1ADRB3MAPK1SMN1; 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 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 2790/4885L3MBTL1 2138/4885ADRB3 2532/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885L3MBTL1 4208/4885ADRB3 2947/4885

“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.