SCHEMBL17819218

SCHEMBL17819218

O=C1NC(=O)C(CCC(O)=S)N1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 14/20 0.46
ADAMTS4 O75173 2/20 0.46
ADAM17 P78536 4/20 0.42
ADAM10 O14672 1/20 0.42
MMP12 P39900 1/20 0.42
ADAM9 Q13443 1/20 0.42
GAA P10253 1/20 0.41
KDM1A O60341 1/20 0.38
TSHR P16473 1/20 0.34

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
SCHEMBL17819216 1.00 ADAMTS5 (0.46) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL17830319 0.82 ADAMTS5 (0.50) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL762368 0.82 ADAMTS5 (0.50) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL762369 0.82 ADAMTS5 (0.50) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL13176600 0.81 ADAMTS5 (0.46) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL17819214 0.77 ADAMTS5 (0.46) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL18123425 0.77 GAA (0.46) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL13803876 0.77 ADAMTS5 (0.46) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL6224351 0.75 GAA (0.41) ADAMTS5ADAMTS4ADAM17ADAM10MMP12
SCHEMBL8801472 0.74 ADAMTS5 (0.45) ADAMTS5ADAMTS4ADAM17ADAM10MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190023690-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (CN) 2019-01-24 US disclosed
US-9944628-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-17 US disclosed
EP-3229807-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS President and Fellows of Harvard College (US) 2017-10-18 EP disclosed
US-9499521-B2 Inhibitors of cellular necrosis and related methods PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-22 US disclosed
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
WO-2016094846-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-16 WO disclosed
US-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-16 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 (3 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-20160168128-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 ADAMTS5 162/4885ADAMTS4 169/4885ADAM17 472/4885
US-20160304498-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 ADAMTS5 162/4885ADAMTS4 169/4885ADAM17 472/4885
US-20190023690-A1 INHIBITORS OF CELLULAR NECROSIS AND RELATED METHODS LITAF, TNF, MMP8 ADAMTS5 162/4885ADAMTS4 169/4885ADAM17 472/4885

“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.