SCHEMBL22834296

SCHEMBL22834296

COC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)C(CCCCN)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.37
ITGA2B P08514 8/20 0.37
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
KLK7 P49862 2/20 0.31
KLK5 Q9Y337 2/20 0.31

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
SCHEMBL22834294 1.00 ITGB3 (0.37) ITGB3ITGA2BMMP2MMP9HDAC3
SCHEMBL29501759 1.00 ITGB3 (0.37) ITGB3ITGA2BMMP2MMP9HDAC3
SCHEMBL19922958 0.93 ITGB3 (0.36) ITGB3ITGA2BMMP2MMP9SIRT5
SCHEMBL19922961 0.93 ITGB3 (0.36) ITGB3ITGA2BMMP2MMP9SIRT5
SCHEMBL31058627 0.92 PLG (0.32) HDAC3HDAC6F2PLGPLAU
SCHEMBL31058628 0.87 ALDH1A1 (0.37) ITGB3ITGA2BMMP9HDAC3HDAC6
SCHEMBL31518826 0.86 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL30643158 0.85 CTSS (0.35) ITGB3ITGA2BHDAC3HDAC6SIRT5
SCHEMBL30643156 0.85 CTSS (0.35) ITGB3ITGA2BHDAC3HDAC6SIRT5
SCHEMBL29501775 0.85 KLK7 (0.44) ITGB3ITGA2BKLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590123-B2 Compounds and methods for treating cancer, viral infections, and allergic conditions WASHINGTON UNIVERSITY (US) 2026-03-31 US disclosed
US-20220380407-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS WASHINGTON UNIVERSITY (US) 2022-12-01 US disclosed
EP-3989997-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS Washington University (US) 2022-05-04 EP disclosed
WO-2020264187-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS JANETKA JAMES (US) 2020-12-30 WO 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 (2 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-12590123-B2 Compounds and methods for treating cancer, viral infections, and allergic conditions TMPRSS2, TMPRSS4, F2RL3 ITGB3 2147/4885ITGA2B 2836/4885MMP2 111/4885
US-20220380407-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS TMPRSS2, PRSS1, PRSS2 ITGB3 2675/4885ITGA2B 2947/4885MMP2 290/4885

“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.