SCHEMBL6486635

SCHEMBL6486635

CC1=C2N=C(C(=O)O)SN2C(=O)C(Cc2ccc(F)c(F)c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 1/20 0.32
ALDH1A1 P00352 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HTR7 P34969 1/20 0.31
CNR1 P21554 2/20 0.30
TSHR P16473 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CNR2 P34972 1/20 0.30
RIPK1 Q13546 1/20 0.30
P2RX7 Q99572 1/20 0.30
PTPN1 P18031 1/20 0.30
GAA P10253 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
SCHEMBL6477346 0.77 CES2 (0.36) P2RY14ALDH1A1P2RX7
SCHEMBL6477879 0.77 KDM5A (0.33) P2RY14ALDH1A1PTGDR2CNR1TSHR
SCHEMBL6477074 0.71 CES2 (0.33) P2RY14ALDH1A1PTGDR2CNR1TSHR
SCHEMBL6482492 0.71 DAO (0.34) P2RY14ALDH1A1TSHRL3MBTL1HDAC6
SCHEMBL6488442 0.70 ALDH1A1 (0.34) P2RY14ALDH1A1CNR1TSHRL3MBTL1
SCHEMBL6814261 0.70 MEN1 (0.33) ALDH1A1
SCHEMBL6814255 0.69 KDM5A (0.33) ALDH1A1
SCHEMBL6484477 0.69 HCAR3 (0.32) P2RY14ALDH1A1CNR1TSHRL3MBTL1
SCHEMBL6814257 0.68 NAMPT (0.39) ALDH1A1L3MBTL1GAA
SCHEMBL6477108 0.68 PTGER4 (0.39) ALDH1A1P2RX7

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
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 P2RY14 3000/4885ALDH1A1 251/4885PTGDR2 703/4885

“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.