SCHEMBL6797310

SCHEMBL6797310

COC(=O)c1ccc(C(OS(C)(=O)=O)c2cc(C(F)(F)F)nc3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
SDHB P21912 2/20 0.45
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MAPT P10636 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
IGF1R P08069 4/20 0.40
MITF O75030 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4059622 0.86 KDM4E (0.53) KDM4EPDE5AABCC1ABCG2MAPT
SCHEMBL7061841 0.83 ADORA2A (0.70) ADORA2AADORA1SDHBKDM4EPDE5A
SCHEMBL6215224 0.83 POLB (0.41) KDM4EPDE5AABCC1ABCG2MAPT
SCHEMBL6757814 0.76 MEN1 (0.44) KDM4EPDE5AABCC1ABCG2MAPT
SCHEMBL6211915 0.75 ADAM17 (0.53) SDHBKDM4EPDE5AABCC1ABCG2
SCHEMBL6632655 0.72 ADORA2A (0.57) ADORA2AADORA1MAPTTLR7IGF1R
SCHEMBL28501875 0.72 RAB9A (0.47) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL6634649 0.71 KDM4E (0.50) KDM4EMAPTMITFLMNAHPGD
SCHEMBL6262672 0.71 ADORA2A (0.78) ADORA2AADORA1ABCC1ABCG2MAPT
SCHEMBL3969700 0.68 KDM4E (0.59) ADORA2AADORA1KDM4EPDE5AABCC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6740649-B2 ANTIINFLAMMATORY AGENTS; OSTEOPOROSIS BRISTOL-MYERS SQUIBB COMPANY 2004-05-25 US disclosed
US-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-07-24 US 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-20030139388-A1 Cyclic hydroxamic acids as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme (TACE) ADAMTS1, MMP1, ADAM17 ADORA2A 4293/4885ADORA1 2212/4885SDHB 2229/4885

“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.