SCHEMBL18769554

SCHEMBL18769554

Cc1ccc(S(=O)(=O)N2CC3CC4OC(CC5CN(S(=O)(=O)c6ccc(C)cc6)CC54)C3C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
PKM P14618 3/20 0.49
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 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
SCHEMBL18752081 0.91 MCOLN3 (0.44) POLBPKMALDH1A1HTTMEN1
SCHEMBL924544 0.84 PKM (0.58) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL29657316 0.81 PKM (0.61) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL31629999 0.81 PKM (0.61) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL13324264 0.81 POLB (0.53) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL3282256 0.81 POLB (0.53) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL5938696 0.81 POLB (0.53) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL9066623 0.81 PKM (0.50) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL9066627 0.81 PKM (0.50) POLBPKMALDH1A1HTTCYP2C19
SCHEMBL5938686 0.81 POLB (0.53) POLBPKMALDH1A1HTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 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-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 POLB 66/4885PKM 2627/4885ALDH1A1 971/4885

“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.