SCHEMBL7061841

SCHEMBL7061841

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.70
ADORA1 P30542 1/20 0.70
KDM4E B2RXH2 3/20 0.47
PDE5A O76074 2/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
IGF1R P08069 5/20 0.43
TNKS O95271 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
SDHB P21912 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL6262672 0.87 ADORA2A (0.78) ADORA2AADORA1ABCC1ABCG2TLR7
SCHEMBL3969700 0.84 KDM4E (0.59) ADORA2AADORA1KDM4EPDE5AABCC1
SCHEMBL6797310 0.83 ADORA2A (0.47) ADORA2AADORA1KDM4EPDE5AABCC1
SCHEMBL7226777 0.83 ADORA2A (1.00) ADORA2AADORA1TLR7IGF1RMAPT
SCHEMBL6797446 0.81 POLB (0.46) ADORA2AADORA1KDM4EPDE5AABCC1
SCHEMBL6481272 0.81 KDM4E (0.47) ADORA2AADORA1KDM4EPDE5AABCC1
SCHEMBL6478698 0.80 KDM4E (0.44) ADORA2AADORA1KDM4EPDE5AABCC1
SCHEMBL6211915 0.77 ADAM17 (0.53) KDM4EPDE5AABCC1ABCG2TLR7
SCHEMBL6632655 0.77 ADORA2A (0.57) ADORA2AADORA1TLR7IGF1RMAPT
SCHEMBL8441818 0.74 ADORA2A (0.71) ADORA2AADORA1TLR7IGF1RMAPT

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 2212/4885KDM4E 4292/4885

“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.