SCHEMBL6484477

SCHEMBL6484477

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 6/20 0.32
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
ANO1 Q5XXA6 2/20 0.31
CNR1 P21554 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CNR2 P34972 1/20 0.31
P2RX7 Q99572 1/20 0.31
P2RY14 Q15391 1/20 0.31
TBXA2R P21731 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6818974 0.79 S1PR3 (0.35) PTGER4
SCHEMBL7064689 0.79 KLKB1 (0.41)
SCHEMBL6476008 0.79 FFAR1 (0.34)
SCHEMBL6477074 0.78 CES2 (0.33) ALDH1A1ANO1CNR1TSHRL3MBTL1
SCHEMBL6488442 0.77 ALDH1A1 (0.34) ALDH1A1CNR1TSHRL3MBTL1CNR2
SCHEMBL6477879 0.72 KDM5A (0.33) ALDH1A1ANO1CNR1TSHRL3MBTL1
SCHEMBL6484455 0.71 PTGER4 (0.38) ALDH1A1TSHRP2RX7PTGER4
SCHEMBL6486635 0.69 P2RY14 (0.32) ALDH1A1GAACNR1TSHRL3MBTL1
SCHEMBL6477346 0.69 CES2 (0.36) ALDH1A1KMT2AP2RX7P2RY14
SCHEMBL6482492 0.69 DAO (0.34) ALDH1A1TSHRL3MBTL1P2RY14HDAC2

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 5 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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040039012-A1 Pyridine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 HCAR3 770/4885HCAR2 676/4885ALDH1A1 251/4885

“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.