SCHEMBL6488442

SCHEMBL6488442

CC1=C2CC(C(=O)O)=CN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CNR1 P21554 3/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33
PTGS1 P23219 4/20 0.32
PTGS2 P35354 4/20 0.32
SIGMAR1 Q99720 2/20 0.31
P2RY14 Q15391 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
DAO P14920 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
SCHEMBL6822205 0.85 LOXL2 (0.39) ATM
SCHEMBL6486218 0.79 FFAR1 (0.34) ALDH1A1CNR1CNR2
SCHEMBL6484477 0.77 HCAR3 (0.32) ALDH1A1CNR1TSHRL3MBTL1CNR2
SCHEMBL6289019 0.76 ALDH1A1 (0.35) ALDH1A1CNR1TSHRL3MBTL1CNR2
SCHEMBL6818731 0.71
SCHEMBL6486635 0.70 P2RY14 (0.32) ALDH1A1CNR1TSHRL3MBTL1CNR2
SCHEMBL6477879 0.70 KDM5A (0.33) ALDH1A1CNR1TSHRL3MBTL1CNR2
SCHEMBL6477346 0.70 CES2 (0.36) ALDH1A1P2RY14
SCHEMBL6482492 0.70 DAO (0.34) ALDH1A1TSHRL3MBTL1P2RY14HDAC2
SCHEMBL6477074 0.70 CES2 (0.33) ALDH1A1CNR1TSHRL3MBTL1CNR2

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 ALDH1A1 251/4885CNR1 1978/4885TSHR 4356/4885

“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.