SCHEMBL6697984

SCHEMBL6697984

CN1C(=O)N(Cc2ccc(F)c(F)c2)Cc2cc(C(=O)O)oc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
HTT P42858 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
P2RY14 Q15391 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
SCHEMBL6701140 0.84 POLB (0.42) ALDH1A1CACNA1GCACNA1HCACNA1I
SCHEMBL6700329 0.78 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1MAPK1HTT
SCHEMBL6696562 0.74 PTGER4 (0.42) CACNA1GCACNA1HCACNA1I
SCHEMBL6700334 0.74 ABCB1 (0.36) ALDH1A1MAPK1
SCHEMBL6700986 0.72 MAPK1 (0.36) ALDH1A1TSHRL3MBTL1MAPK1CACNA1H
SCHEMBL6703428 0.72 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1MAPK1P2RY14
SCHEMBL6705194 0.71 SMN1; SMN2 (0.47) ALDH1A1
SCHEMBL6699931 0.70 CLPP (0.38) MAPK1SIGMAR1
SCHEMBL6704242 0.69 PTGER4 (0.36) ALDH1A1TSHRL3MBTL1CACNA1GCACNA1H
SCHEMBL6694967 0.68 MMP13 (0.46) ALDH1A1

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
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC 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-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 ALDH1A1 221/4885TSHR 4387/4885L3MBTL1 2759/4885

“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.