SCHEMBL5528797

SCHEMBL5528797

CCN1C(=O)C(C)(CC)N(C)C1=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
ELANE P08246 1/20 0.34
CTSG P08311 1/20 0.34
CTRC Q99895 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGLL Q99685 1/20 0.31
TNFRSF1A P19438 1/20 0.31
CNR1 P21554 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL5532101 0.80 F2 (0.42) F2ELANECTSGCTRCCHRM2
SCHEMBL5534007 0.73 F2 (0.39) F2ELANECTSGCTRCALDH1A1
SCHEMBL13853164 0.68 F2 (0.42) F2ELANECTSGCTRCCHRM2
SCHEMBL15960852 0.65 F2 (0.39) F2ELANECTSGCTRCCHRM2
SCHEMBL13853152 0.65 F2 (0.39) F2ELANECTSGCTRCALDH1A1
SCHEMBL1362966 0.65 F2 (0.39) F2ELANECTSGCTRCCHRM2
SCHEMBL419379 0.64 F2 (0.48) F2ELANECTSGCTRCCHRM2
SCHEMBL16922376 0.62 ELANE (0.50) F2ELANECTSGCTRCCHRM2
SCHEMBL12266553 0.62 ELANE (0.50) F2ELANECTSGCTRCCHRM2
SCHEMBL10953690 0.62 ELANE (0.50) F2ELANECTSGCTRCCHRM2

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-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2017-10-26 US disclosed
US-9586880-B2 Small molecule inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-07 US disclosed
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-01-23 US disclosed
US-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-17 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-20120122889-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 F2 2137/4885ELANE 2929/4885CTSG 2022/4885
US-20170305824-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 F2 2230/4885ELANE 2965/4885CTSG 2006/4885
US-20140024657-A1 SMALL MOLECULE INHIBITORS OF NECROPTOSIS TNF, TNFRSF1A, RIPK1 F2 2230/4885ELANE 2965/4885CTSG 2006/4885

“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.