SCHEMBL344607

SCHEMBL344607

COC(=O)[C@H](CC(F)(F)Cc1ccccc1)N=C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
MIF P14174 1/20 0.40
MMP8 P22894 1/20 0.39
CTRB1 P17538 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
PTPN1 P18031 1/20 0.37
RECQL P46063 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KLK5 Q9Y337 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
ANPEP P15144 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL344609 1.00 TSHR (0.44) TSHRMIFMMP8CTRB1CTSB
SCHEMBL8225981 0.88 TSHR (0.47) TSHRMIFMMP8CTRB1PTPN1
SCHEMBL4406736 0.85 CTSB (0.38) TSHRCTSBCTSSCTSKCYP3A4
SCHEMBL4073030 0.85 CTSB (0.38) TSHRCTSBCTSSCTSKCYP3A4
SCHEMBL12214024 0.80 TSHR (0.48) TSHRMIFMMP8CTRB1CTSK
SCHEMBL5399978 0.79 MIF (0.56) MIFCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL135996 0.79 MIF (0.56) MIFCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL820965 0.79 MIF (0.56) MIFCYP3A4KMT2AMEN1ALDH1A1
SCHEMBL347444 0.77 CA1 (0.33)
SCHEMBL347442 0.77 CA1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
CN-102417480-B As the Spirocyclic nitriles of proteinase inhibitor Sanofi-Aventis S. P. A. (FR) 2015-08-26 CN disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 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-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP TSHR 4046/4885MIF 112/4885MMP8 60/4885

“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.