SCHEMBL4538700

SCHEMBL4538700

Cc1c(-c2ccc3cccnc3c2)ccc(S(=O)(=O)N2CCC3(CC2)CN(C2CC2)C(=O)CO3)c1C

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 8/20 0.74
HTR6 P50406 2/20 0.34
MAPK14 Q16539 1/20 0.34
EPHX2 P34913 1/20 0.34
CHRNA7 P36544 1/20 0.33
KDM1A O60341 1/20 0.33
GSK3B P49841 1/20 0.32
FABP1 P07148 2/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL4541495 0.90 FASN (0.80) FASNHTR6MAPK14EPHX2CHRNA7
SCHEMBL4543118 0.88 FASN (0.81) FASNHTR6MAPK14FABP1
SCHEMBL4541540 0.87 FASN (0.81) FASNHTR6EPHX2CHRNA7GSK3B
SCHEMBL4542933 0.87 FASN (0.71) FASNHTR6CHRNA7KDM1AGSK3B
SCHEMBL4537375 0.86 FASN (0.80) FASNEPHX2CHRNA7KDM1AGSK3B
SCHEMBL4540792 0.86 FASN (0.82) FASNHTR6CHRNA7KDM1AGSK3B
SCHEMBL4541541 0.86 FASN (0.74) FASNHTR6CHRNA7KDM1AFABP1
SCHEMBL4541959 0.85 FASN (0.79) FASNHTR6TP53
SCHEMBL30552767 0.85 FASN (1.00) FASNHTR6CHRNA7GSK3B
SCHEMBL4541971 0.85 FASN (1.00) FASNHTR6CHRNA7GSK3B

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 15 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-2012062691-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING HCV INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO 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-2012062691-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING HCV INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO 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 2790/4885HTR6 750/4885MAPK14 4446/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885HTR6 2872/4885MAPK14 3075/4885

“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.