SCHEMBL7600340

SCHEMBL7600340

COc1ccc(S(=O)(=O)C(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)OC(CCCc2cccnc2)CCCc2cccnc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.45
CACNA1B Q00975 4/20 0.45
CACNB1 Q02641 4/20 0.45
CACNA1C Q13936 3/20 0.45
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
FKBP1A P62942 5/20 0.42
PTAFR P25105 1/20 0.41
ABCC1 P33527 1/20 0.40
FKBP4 Q02790 1/20 0.40
FKBP5 Q13451 1/20 0.40
POLB P06746 1/20 0.40
CACNA1G O43497 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7594736 0.73 FNTA (0.47) CACNA1G
SCHEMBL7595694 0.73 AVPR1B (0.48) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL7597214 0.70 FNTA (0.42) CACNA2D1CACNA1BCACNB1
SCHEMBL31350736 0.67 FNTA (0.76) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL6423229 0.66 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL6823690 0.65 PDE4A (0.68) PDE4APDE4BPDE4CPDE4D
SCHEMBL6822891 0.65 PDE4A (0.67) PDE4APDE4BPDE4CPDE4D
SCHEMBL5265376 0.64 CACNA2D1 (0.83) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL5267851 0.64 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL4753324 0.63 MAOB (0.64) CACNA2D1CACNA1BCACNB1CACNA1CPOLB

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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance PROCTER & GAMBLE COMPANY, THE 2002-08-29 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-20020119979-A1 Acyclic compounds and methods for treating multidrug resistance ABCC1, ABCB1, ABCB11 CACNA2D1 3551/4885CACNA1B 3158/4885CACNB1 3009/4885

“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.