SCHEMBL4492399

SCHEMBL4492399

N[C@@H](c1ccc(-c2ccc(C(O)C(F)F)cc2)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.39
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSF Q9UBX1 1/20 0.34
PTPN5 P54829 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL4503752 1.00 SYK (0.39) SYKCTSKCTSLCTSBCTSF
SCHEMBL5013583 0.81 SYK (0.39) SYKCTSKCTSLCTSBCTSF
SCHEMBL4503863 0.81 SYK (0.39) SYKCTSKCTSLCTSBCTSF
SCHEMBL7803590 0.78 PTPN5 (0.39) SYKCTSKCTSLCTSBCTSF
SCHEMBL4514361 0.76 CHRNB2 (0.47) SYKPTPN5
SCHEMBL5843823 0.76 CHRNB2 (0.47) SYKPTPN5
SCHEMBL28275254 0.74 CYP3A4 (0.49) SYK
SCHEMBL4501892 0.74 CES2 (0.40) SYK
SCHEMBL4502387 0.73 PDE2A (0.38) SYKPTPN5
SCHEMBL5011306 0.72 ALDH1A1 (0.41) SYK

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 4 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
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

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 1101/4885CTSL 2212/4885

“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.