SCHEMBL4920665

SCHEMBL4920665

CC(=O)SC[C@H](Cc1ccccc1F)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.50
PPARA Q07869 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ABCC3 O15438 1/20 0.47
NR1I2 O75469 1/20 0.47
ABCB11 O95342 1/20 0.47
NR3C1 P04150 1/20 0.47
RARG P13631 1/20 0.47
CNR1 P21554 1/20 0.47
OPRK1 P41145 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
NR1I3 Q14994 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
SYK P43405 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
SCHEMBL4920658 1.00 CTRB1 (0.50) CTRB1PPARACYP1A2CYP3A4CYP2D6
SCHEMBL7398409 0.88 CTRB1 (0.51) CTRB1PPARACYP1A2CYP3A4CYP2D6
SCHEMBL18576675 0.87 CTRB1 (0.65) CTRB1PPARACYP1A2CYP3A4CYP2D6
SCHEMBL13556077 0.86 CTRB1 (0.58) CTRB1PPARACYP1A2CYP3A4CYP2D6
SCHEMBL5559542 0.83 CTRB1 (0.56) CTRB1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4926944 0.82 CTSS (0.54) PPARACYP3A4CTSKCTSSATM
SCHEMBL5796611 0.82 CTSS (0.54) PPARACYP3A4CTSKCTSSATM
SCHEMBL5796601 0.82 CTSS (0.54) PPARACYP3A4CTSKCTSSATM
SCHEMBL14438411 0.80 ITGB3 (0.56) CTRB1PPARAALDH1A1ALOX15CTSL
SCHEMBL7444291 0.80 ITGB3 (0.56) CTRB1PPARAALDH1A1ALOX15CTSL

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-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
EP-1758861-A1 DPP-IV INHIBITORS Santhera Pharmaceuticals (Schweiz) AG (CH) 2007-03-07 EP disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP 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-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 CTRB1 255/4885PPARA 2726/4885CYP1A2 1281/4885

“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.