SCHEMBL3666693

SCHEMBL3666693

CC(C)(C)OC(=O)NCC#CCOc1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
CA12 O43570 5/20 0.48
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
PTPN11 Q06124 1/20 0.48
MMP1 P03956 6/20 0.47
MMP13 P45452 6/20 0.47
ADAM17 P78536 6/20 0.47
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MMP9 P14780 1/20 0.40
LMNA P02545 1/20 0.40
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL25693853 0.83 PTPN11 (0.67) CA12CA1CA2CA9PTPN11
SCHEMBL3756910 0.82 MMP1 (0.48) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL5420417 0.80 CA12 (0.71) ALDH1A1CA12CA1CA2CA9
SCHEMBL29129148 0.80 PTPN11 (0.56) CA12CA1CA2CA9PTPN11
SCHEMBL2229323 0.79 CA1 (0.72) CA12CA1CA2CA9MEN1
SCHEMBL17162044 0.78 CA12 (0.62) CA12CA1CA2CA9CRBN
SCHEMBL2228195 0.78 CA12 (0.62) CA12CA1CA2CA9CRBN
SCHEMBL16245772 0.78 CA12 (0.73) CA12CA1CA2CA9MEN1
SCHEMBL23817033 0.77 CA12 (0.67) CA12CA1CA2CA9
SCHEMBL23142821 0.76 TP53 (0.51) ALDH1A1KDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
US-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents INHIBOX LTD. (GB) 2010-12-09 US disclosed
EP-2155703-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Inhibox Ltd. (GB) 2010-02-24 EP disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 WO disclosed
WO-2008142376-A1 BICYCLOSULFONYL ACID (BCSA) COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS INHIBOX LTD. (GB) 2008-11-27 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-20100311741-A1 Bicyclosulfonyl Acid (BCSA) Compounds and Their Use as Therapeutic Agents TNF, CS, COASY ALDH1A1 1941/4885KDM4E 3812/4885CA12 2435/4885

“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.