SCHEMBL5658778

SCHEMBL5658778

CS(=O)(=O)OCCCn1c(=O)ccc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
BRD4 O60885 1/20 0.45
BRPF1 P55201 1/20 0.45
CA9 Q16790 1/20 0.45
KAT2B Q92831 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
KMT2A Q03164 2/20 0.43
MCL1 Q07820 3/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
MMP9 P14780 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 2/20 0.35

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
SCHEMBL17580181 0.83 HDAC1 (0.36) BRPF1MCL1TSHRALDH1A1LMNA
SCHEMBL5658777 0.79 CA12 (0.46) CA12BRD4BRPF1CA9KAT2B
SCHEMBL8205213 0.78 PER2 (0.49) KMT2ATSHRALDH1A1ALOX15HTT
SCHEMBL6198418 0.77 ALDH1A1 (0.55) CA12BRD4BRPF1CA9KAT2B
SCHEMBL9111783 0.76 CA12 (0.49) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4532625 0.76 CA12 (0.53) CA12BRD4BRPF1CA9KAT2B
SCHEMBL6197423 0.75 CA12 (0.51) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4101677 0.74 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL5659862 0.74 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL4095757 0.74 CA12 (0.50) CA12BRD4BRPF1CA9KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 CA12 4637/4885BRD4 1038/4885BRPF1 3667/4885

“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.