SCHEMBL6671285

SCHEMBL6671285

CC(C)(C(=O)C(=O)O)c1cc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.50
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44

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
SCHEMBL21646058 0.78 BCL2L1 (0.51) BCL2L1CA12CA1CA9CA2
SCHEMBL6207718 0.78 BCL2L1 (0.51) BCL2L1CA12CA1CA9CA2
SCHEMBL354292 0.76 CYP2A6 (0.48) BCL2L1CA12CA1CA9CA2
SCHEMBL16009726 0.74 MGLL (0.52) BCL2L1CA12CA1CA9CA2
SCHEMBL820486 0.74 MGLL (0.50) BCL2L1CA12CA1CA9CA2
SCHEMBL28019294 0.73 MGLL (0.50) BCL2L1CA12CA1CA9CA2
SCHEMBL3624705 0.72 BCL2L1 (0.53) BCL2L1CA12CA1CA9CA2
SCHEMBL12778749 0.72 MGLL (0.44) BCL2L1CA12CA1CA9CA2
SCHEMBL2387149 0.71 MGLL (0.47) BCL2L1CA12CA1CA9CA2
SCHEMBL8543672 0.70 CYP2A6 (0.50) BCL2L1CA12CA1CA9CA2

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN BCL2L1 886/4885CA12 34/4885CA1 121/4885

“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.