SCHEMBL12854151

SCHEMBL12854151

CCS(=O)(=O)CCS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.39
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL8339214 0.86 LMNA (0.40) LMNAKDM4ECYP3A4ALDH1A1TP53
SCHEMBL597046 0.82 NLRP3 (0.50) NLRP3LMNAKDM4ECYP3A4ALDH1A1
SCHEMBL28597231 0.80 LMNA (0.34) LMNACA1CA2
SCHEMBL28593106 0.78 LMNA (0.33) LMNA
SCHEMBL28602486 0.78 LMNA (0.33) LMNA
SCHEMBL11695951 0.73 LMNA (0.45) NLRP3LMNAKDM4ECYP3A4ALDH1A1
SCHEMBL29145538 0.73 LMNA (0.39) NLRP3LMNAALDH1A1CA1CA2
SCHEMBL23343716 0.72 NLRP3 (0.43) NLRP3LMNAKDM4ECYP3A4ALDH1A1
SCHEMBL442185 0.72
SCHEMBL78146 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 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 (5 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-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC NLRP3 1516/4885LMNA 2134/4885KDM4E 4210/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP NLRP3 1521/4885LMNA 2995/4885KDM4E 4532/4885
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP NLRP3 1521/4885LMNA 2995/4885KDM4E 4532/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP NLRP3 1521/4885LMNA 2995/4885KDM4E 4532/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP NLRP3 1521/4885LMNA 2995/4885KDM4E 4532/4885

“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.