SCHEMBL6876791

SCHEMBL6876791

O=C/C=C/c1ccc(-c2cccs2)s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.67
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GLA P06280 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL6876796 1.00 DPP4 (0.67) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL19721713 0.85 DPP4 (0.69) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL30375911 0.85 DPP4 (0.69) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL223830 0.82 DPP4 (0.96) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL16081599 0.80 DPP4 (1.00) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL498654 0.80 DPP4 (1.00) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL6852250 0.79 DPP4 (0.61) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL769251 0.79 DPP4 (0.61) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL13978511 0.79 DPP4 (0.61) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL8575384 0.79 DPP4 (0.61) DPP4ALDH1A1KDM4EGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 DPP4 762/4885ALDH1A1 2109/4885KDM4E 18/4885

“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.