SCHEMBL5559459

SCHEMBL5559459

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
SYK P43405 1/20 0.42
TACR1 P25103 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
OPRK1 P41145 1/20 0.41
MMP13 P45452 1/20 0.41
ATM Q13315 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40

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
SCHEMBL5562553 0.90 CTRB1 (0.52) CTRB1ALDH1A1ALOX15CA12CA1
SCHEMBL18576677 0.87 CTRB1 (0.67) CTRB1ALDH1A1ALOX15CA12CA1
SCHEMBL2353282 0.87 CTRB1 (0.67) CTRB1ALDH1A1ALOX15CA12CA1
SCHEMBL14451984 0.87 CTRB1 (0.49) CTRB1ALDH1A1ALOX15CA12CA1
SCHEMBL5559542 0.84 CTRB1 (0.56) CTRB1ALDH1A1ALOX15SYKTACR1
SCHEMBL5200951 0.83 PPARG (0.41) ALDH1A1CTSSCTSKKMT2A
SCHEMBL11283166 0.82 CTRB1 (0.56) CTRB1ALDH1A1CA12CA1CA2
Tetrabuthylammonium SCHEMBL5560785 0.81 CTRB1 (0.43) CTRB1SYKCTSLCTSS
SCHEMBL4923623 0.81 CTSS (0.54) CTSSCTSKMMP13ATM
Tetrabuthylammonium SCHEMBL5560786 0.80 CTRB1 (0.43) CTRB1SYKCTSLCTSS

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.