SCHEMBL1908886

SCHEMBL1908886

CC(C)(C)CCCCS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NLRP3 Q96P20 1/20 0.33
LOX P28300 1/20 0.32

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
SCHEMBL27013497 0.97 ALDH1A1 (0.39) ALDH1A1LMNATP53NLRP3LOX
SCHEMBL1908883 0.92 ALDH1A1 (0.37) ALDH1A1LMNATP53NLRP3
SCHEMBL8812943 0.84
SCHEMBL8812357 0.82 FAAH (0.31)
SCHEMBL8813813 0.82 FAAH (0.31)
SCHEMBL2625547 0.80 NLRP3 (0.38) ALDH1A1LMNATP53NLRP3
SCHEMBL777321 0.80 ALDH1A1 (0.52) ALDH1A1LMNATP53NLRP3LOX
SCHEMBL6736117 0.77 APP (0.44) LMNA
SCHEMBL13668109 0.77 CA2 (0.37)
SCHEMBL26504504 0.77 CA2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-31 US disclosed
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2018-05-17 US disclosed
US-9957290-B2 Derivatives of amphotericin B SFUNGA THERAPEUTICS, INC. (US) 2018-05-01 US disclosed
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-11-23 US disclosed
US-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers SYNTARGA BV (NL) 2017-09-28 US disclosed
US-9629924-B2 Conjugates of CC-1065 analogs and bifunctional linkers SYNTARGA BV (NL) 2017-04-25 US disclosed
US-20160304548-A1 Derivatives of Amphotericin B ELION THERAPEUTICS, INC. 2016-10-20 US disclosed
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS BYONDIS B.V. (NL) 2013-08-29 US disclosed
US-8324239-B2 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120015907-A1 Furopyridine compounds and uses thereof NOVARTIS AG (CH) 2012-01-19 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF NUADA, INC. (US) 2009-10-22 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 US disclosed
US-20080269204-A1 Compounds and Methods of Use Thereof DYAKONOV TATYANA 2008-10-30 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 (11 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-20170274090-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885LMNA 2614/4885TP53 214/4885
US-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A ALDH1A1 830/4885LMNA 1421/4885TP53 441/4885
US-20170333567-A1 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885LMNA 2614/4885TP53 214/4885
US-20160304548-A1 Derivatives of Amphotericin B C9, ERG28, AMPD3 ALDH1A1 2372/4885LMNA 2238/4885TP53 4471/4885
US-20120015907-A1 Furopyridine compounds and uses thereof CYP3A5, QDPR, DPYD ALDH1A1 178/4885LMNA 4387/4885TP53 4317/4885
US-20080269204-A1 Compounds and Methods of Use Thereof TNF, LITAF, TNFRSF1A ALDH1A1 946/4885LMNA 574/4885TP53 521/4885
US-20180133316-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885LMNA 2614/4885TP53 214/4885
US-20090264384-A1 INDOLE, BENZIMIDAZOLE, AND BENZOLACTAM BORONIC ACID COMPOUNDS, ANALOGS THEREOF AND METHODS OF USE THEREOF TNF, NFKBIA, IL6 ALDH1A1 531/4885LMNA 1527/4885TP53 327/4885
US-20080319044-A1 Compounds and Methods of Use Thereof TNF, LITAF, LTA ALDH1A1 1349/4885LMNA 1853/4885TP53 200/4885
US-20180147289-A9 Novel Conjugates of CC-1065 Analogs and Bifunctional Linkers PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885LMNA 2614/4885TP53 214/4885
US-20130224227-A1 NOVEL CONJUGATES OF CC-1065 ANALOGS AND BIFUNCTIONAL LINKERS PCNA, DCLRE1A, CDC5L ALDH1A1 2514/4885LMNA 2614/4885TP53 214/4885

“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.