SCHEMBL17830749

SCHEMBL17830749

O=C(CN1C(=O)C(=O)c2cc(Cl)ccc21)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 6/20 0.49
ALDH3A1 P30838 5/20 0.49
ALDH2 P05091 3/20 0.49
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
CHRM5 P08912 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL17830748 0.89 CHRM5 (0.53) CA1CA2CA9ALDH1A1ALDH3A1
SCHEMBL17830745 0.88 ALDH1A1 (0.56) ALDH1A1ALDH3A1ALDH2MMP1MMP12
SCHEMBL17830747 0.87 ALDH1A1 (0.52) CA1CA2CA9ALDH1A1ALDH3A1
SCHEMBL17830710 0.85 ALDH1A1 (0.64) ALDH1A1ALDH3A1ALDH2
SCHEMBL17830743 0.85 ALDH1A1 (0.60) ALDH1A1ALDH3A1ALDH2LMNAHSP90AA1
SCHEMBL17830741 0.83 ALDH1A1 (0.50) ALDH1A1ALDH3A1ALDH2MMP1MMP12
SCHEMBL17830744 0.83 ALDH1A1 (0.55) CA1CA2CA9ALDH1A1ALDH3A1
SCHEMBL1218585 0.82 CA1 (0.70) CA1CA2CA9ALDH1A1ALDH3A1
SCHEMBL17830754 0.81 CASP1 (0.52) CA1CA2CA9ALDH1A1ALDH3A1
SCHEMBL17830746 0.81 ALDH1A1 (0.51) CA1CA2CA9ALDH1A1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 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-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A CA1 4144/4885CA2 4432/4885CA9 4270/4885

“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.