SCHEMBL4503576

SCHEMBL4503576

NC(=O)C1(c2ccc(-c3ccc(C(O)C(F)(F)F)nc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
CTSK P43235 3/20 0.39
MLYCD O95822 1/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSF Q9UBX1 2/20 0.36
ABL1 P00519 6/20 0.35
IDO1 P14902 1/20 0.34
MAP4K4 O95819 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
CTSV O60911 1/20 0.34
CTSS P25774 1/20 0.34
CYP11B2 P19099 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ALOX5 P09917 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
SCHEMBL4500620 0.86 APP (0.48) SYKCTSK
SCHEMBL4503639 0.70 SYK (0.43) SYKCTSKMLYCDCTSLCTSB
SCHEMBL6259048 0.69 SYK (0.40) SYKABL1IDO1MAP4K4CYP11B2
SCHEMBL5011615 0.69 ABL1 (0.52) ABL1
SCHEMBL30070869 0.69 DEGS1 (0.40) MAP4K4
SCHEMBL4508232 0.69 CTSK (0.41) SYKCTSKCTSLCTSBCTSF
SCHEMBL4503224 0.69 CTSK (0.41) SYKCTSKCTSLCTSBCTSF
SCHEMBL4507687 0.69 CTSK (0.41) SYKCTSKCTSLCTSBCTSF
SCHEMBL9966508 0.69 ALOX5AP (0.48) IDO1MAP4K4
SCHEMBL4505580 0.68 APP (0.55) CTSK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US claimed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
US-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MERCK FROSST CANADA LTD. (CA) 2009-11-26 US disclosed
EP-1893562-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B Merck Frosst Canada Ltd. (CA) 2008-03-05 EP disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 WO disclosed
WO-2006133559-A1 REVERSIBLE INHIBITORS OF MONOAMINE OXIDASE A AND B MERCK FROSST CANADA LTD. (CA) 2006-12-21 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 (1 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-20090291988-A1 Reversible Inhibitors of Monoamine Oxidase A and B MAOB, MAOA, XDH SYK 3202/4885CTSK 1101/4885MLYCD 233/4885

“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.