SCHEMBL6694664

SCHEMBL6694664

CCOC(=O)CC1C(=O)N(Cc2ccc(C3(C)NCCN3)cc2)CCN1S(=O)(=O)c1cc2ccc(Cl)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.46
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BDKRB1 P46663 1/20 0.38

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
SCHEMBL6698826 0.90 F10 (0.48) F10BDKRB1
SCHEMBL6695833 0.86 F10 (0.64) F10ALDH1A1HTT
SCHEMBL6698165 0.85 F10 (0.63) F10ALDH1A1HTT
SCHEMBL6695837 0.84 F10 (0.47) F10ALDH1A1HTTCYP3A4CYP2C19
SCHEMBL7004429 0.83 F10 (0.44) F10ALDH1A1HTTCYP3A4CYP2C19
SCHEMBL6694660 0.82 F10 (0.64) F10
SCHEMBL6693699 0.78 F10 (0.70) F10
SCHEMBL6695522 0.76 F10 (0.69) F10
SCHEMBL6695519 0.74 F10 (0.49) F10
SCHEMBL6695516 0.74 F10 (0.49) F10

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-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-15 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-20040072860-A1 Piperazin-2-one amides as inhibitors of factor xa F2, TFPI, TFPI2 F10 12/4885ALDH1A1 1970/4885HTT 4230/4885

“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.