SCHEMBL6477069

SCHEMBL6477069

CC1=C2OC(C(=O)NCc3ccccc3)=CN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 8/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
PTGER4 P35408 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KLKB1 P03952 1/20 0.37
ALDH1A1 P00352 1/20 0.36
P2RX7 Q99572 1/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7064689 0.91 KLKB1 (0.41) S1PR3KLKB1
SCHEMBL6818974 0.91 S1PR3 (0.35) S1PR3KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL6484477 0.86 HCAR3 (0.32) PTGER4TSHRALDH1A1P2RX7KMT2A
SCHEMBL6484455 0.82 PTGER4 (0.38) S1PR3KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL6476008 0.77 FFAR1 (0.34)
SCHEMBL6477108 0.76 PTGER4 (0.39) S1PR3HTTPTGER4ALDH1A1P2RX7
SCHEMBL6477071 0.75 PTGER4 (0.38) S1PR3HTTPTGER4ALDH1A1P2RX7
SCHEMBL6289363 0.73 KDM4E (0.43) S1PR3KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL6292798 0.71 PTGER4 (0.40) S1PR3KDM4EMAPK1RAB9ASMN1; SMN2
SCHEMBL6292753 0.71 MAPT (0.42) S1PR3KDM4ESMN1; SMN2PTGER4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US claimed
US-6897223-B2 Pyridine fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-05-24 US disclosed
US-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 S1PR3 2042/4885KDM4E 1218/4885MAPK1 981/4885

“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.