SCHEMBL5559542

SCHEMBL5559542

O=C(N[C@@H](CO)Cc1ccccc1F)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.56
ALDH1A1 P00352 3/20 0.46
ALOX15 P16050 1/20 0.46
CYP3A4 P08684 5/20 0.46
SYK P43405 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
TACR1 P25103 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL7456474 0.87 CTRB1 (0.49) CTRB1ALDH1A1CYP3A4SYKCYP1A2
SCHEMBL7456471 0.87 CTRB1 (0.49) CTRB1ALDH1A1CYP3A4SYKCYP1A2
SCHEMBL5562553 0.85 CTRB1 (0.52) CTRB1ALDH1A1ALOX15SYKTACR1
SCHEMBL1051352 0.85 CTRB1 (0.76) CTRB1ALDH1A1ALOX15CYP3A4SYK
SCHEMBL2482903 0.85 CTRB1 (0.76) CTRB1ALDH1A1ALOX15CYP3A4SYK
SCHEMBL2435512 0.85 CTRB1 (0.76) CTRB1ALDH1A1ALOX15CYP3A4SYK
SCHEMBL5559459 0.84 CTRB1 (0.51) CTRB1ALDH1A1ALOX15SYKTACR1
SCHEMBL4920665 0.83 CTRB1 (0.50) CTRB1ALDH1A1ALOX15CYP3A4SYK
SCHEMBL4920658 0.83 CTRB1 (0.50) CTRB1ALDH1A1ALOX15CYP3A4SYK
SCHEMBL4829896 0.83 CTRB1 (0.68) CTRB1ALDH1A1SYKCYP1A2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 WO disclosed
WO-2005095343-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-10-13 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-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 CTRB1 99/4885ALDH1A1 2070/4885ALOX15 4706/4885

“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.