SCHEMBL6928608

SCHEMBL6928608

CC(C)C#CC(C)(O)C(=O)[N+]1(Cc2cc(Cl)ccc2CNC(=O)OC(C)(C)C)CCC[C@H]1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
IDO1 P14902 2/20 0.33
F2 P00734 11/20 0.33
F10 P00742 4/20 0.33
PRSS1 P07477 4/20 0.33
PRSS2 P07478 4/20 0.33
PRSS3 P35030 4/20 0.33
F12 P00748 2/20 0.32
F7 P08709 2/20 0.32
MAPK8 P45983 1/20 0.31
EPHX2 P34913 1/20 0.31
PTGER1 P34995 1/20 0.31
ENPP2 Q13822 1/20 0.30
ANO1 Q5XXA6 1/20 0.30

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
SCHEMBL6921482 0.86 ALDH1A1 (0.38) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6927249 0.86 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6921234 0.84 F2 (0.43) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6924376 0.84 F2 (0.41) ALDH1A1IDO1F2MAPK8PTGER1
SCHEMBL6929082 0.84 F2 (0.40) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6923429 0.83 F2 (0.41) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6923524 0.82 F2 (0.38) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6927731 0.81 ALDH1A1 (0.37) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6925791 0.81 F2 (0.40) ALDH1A1IDO1F2F10PRSS1
SCHEMBL6924958 0.80 F2 (0.39) ALDH1A1IDO1F2MAPK8

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-6515072-B2 Rubbery block copolymer particle dispersed phase of styrene monomers and dienic monomers; and copolymer matrix with styrenic, (meth)acrylate, and vinyl cyanide units CHI MEI CORPORATION (TW) 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
US-20020032282-A1 Transparent rubber-modified styrenic resin composition CHI MEI CORPORATION (TW) 2002-03-14 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI ALDH1A1 4773/4885IDO1 2641/4885F2 2/4885

“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.