SCHEMBL6488680

SCHEMBL6488680

Cc1cc(Cc2ccc(C(=O)O)cc2)c(=O)n2nc(C#Cc3ccccc3)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
RXRA P19793 2/20 0.36
FPR1 P21462 2/20 0.35
FFAR1 O14842 1/20 0.35
CHRM2 P08172 1/20 0.35
S1PR1 P21453 1/20 0.35
FPR3 P25089 1/20 0.35
GPR183 P32249 1/20 0.35
APLNR P35414 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
GPR65 Q8IYL9 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
KAT8 Q9H7Z6 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
ACACB O00763 1/20 0.35
GRM5 P41594 2/20 0.35
FPR2 P25090 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL6475676 0.88 MEN1 (0.39) TSHRFPR1FPR2MAPTMMP13
SCHEMBL6477198 0.81 TSHR (0.38) TSHRRXRAFPR1FFAR1CHRM2
SCHEMBL6483921 0.80 MAPT (0.45) LMNAPOLBMAPTRXFP1MMP13
SCHEMBL6490898 0.79 TSHR (0.37) TSHRRXRAFPR1FFAR1CHRM2
SCHEMBL6919813 0.76 PTGER4 (0.45) LMNAPOLBMAPTRXFP1MMP13
SCHEMBL6486967 0.73 RXRA (0.38) TSHRRXRAFPR1FFAR1CHRM2
SCHEMBL6484773 0.72 MEN1 (0.41) FPR1LMNAFPR2MAPTRXFP1
SCHEMBL6817760 0.71 MAPT (0.38) LMNAPOLBMAPTRXFP1MMP13
SCHEMBL6488185 0.71 TRPA1 (0.53) LMNAPOLBMAPTRXFP1PHGDH
SCHEMBL6484092 0.67 MEN1 (0.38) TSHRFPR1FPR2MAPTMMP13

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-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 TSHR 4356/4885RXRA 1370/4885FPR1 175/4885

“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.