SCHEMBL403704

SCHEMBL403704

[CH2]OC(=O)c1c(C)cccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ELANE P08246 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NLRP3 Q96P20 1/20 0.36
NR4A2 P43354 1/20 0.36
POLB P06746 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CYP1A2 P05177 2/20 0.35

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
SCHEMBL11782277 0.86 TYK2 (0.46) ALDH1A1ELANEKDM4EHPGDHSD17B10
SCHEMBL7625634 0.83 CA12 (0.38) CA12CA1CA2CA7CA9
SCHEMBL6113403 0.81 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL1044586 0.81 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL403705 0.79 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL27923890 0.77 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL2809402 0.77 CYP3A4 (0.38) L3MBTL1TDP1ALDH1A1KDM4EHPGD
SCHEMBL27769118 0.77 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL27996415 0.77 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL27403344 0.77 CA12 (0.41) CA12CA1CA2CA7CA9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US claimed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP claimed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 WO claimed
US-11525155-B2 Stabilisation of biological samples QIAGEN GMBH (DE) 2022-12-13 US disclosed
US-10676780-B2 Stabilisation and isolation of extracellular nucleic acids QIAGEN GMBH (DE) 2020-06-09 US disclosed
US-20200120923-A1 STABILISATION OF BIOLOGICAL SAMPLES QIAGEN GMBH (DE) 2020-04-23 US disclosed
US-20160348151-A1 STABILISATION OF BIOLOGICAL SAMPLES QIAGEN GMBH (DE) 2016-12-01 US disclosed
US-20160281133-A1 STABILIZATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2016-09-29 US disclosed
US-20140227687-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2014-08-14 US disclosed
US-20140227688-A1 STABILISATION AND ISOLATION OF EXTRACELLULAR NUCLEIC ACIDS QIAGEN GMBH (DE) 2014-08-14 US disclosed
US-8324173-B2 Peptides useful as dual caspase-2/-6 inhibitors and their biological applications CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-04 US disclosed
WO-2009083930-A1 CASPASE-8 INHIBITORS AND USES THEREOF THERAPTOSIS (FR) 2009-07-09 WO disclosed
WO-2009083929-A1 CASPASE-1 INHIBITORS AND USES THEREOF THERAPTOSIS (FR) 2009-07-09 WO disclosed
US-20090042805-A1 Peptides Useful As Dual Caspase-2/-6 Inhibitors And Their Biological Applications CHIESI FARMACEUTICI S.P.A. (IT) 2009-02-12 US disclosed
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications THERAPTOSIS SA (FR) 2008-12-18 US disclosed
EP-1817328-A2 NEW PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-08-15 EP disclosed
EP-1740614-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS Theraptosis S.A. (FR) 2007-01-10 EP disclosed
WO-2006056487-A2 PEPTIDES USEFUL AS DUAL CASPASE-2/-6 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2006-06-01 WO disclosed
WO-2005105829-A2 CASPASE-2 INHIBITORS AND THEIR BIOLOGICAL APPLICATIONS THERAPTOSIS S.A. (FR) 2005-11-10 WO disclosed
US-3943153-A BACTERICIDES MERCK & CO., INC. (US) 1976-03-09 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-20090042805-A1 Peptides Useful As Dual Caspase-2/-6 Inhibitors And Their Biological Applications CASP6, CASP2, CASP4 CA12 4200/4885CA1 3500/4885CA2 2502/4885
US-20080311051-A1 Caspase-2 Inhibitors And Their Biological Applications CASP1, CASP2, CASP9 CA12 4601/4885CA1 2682/4885CA2 1881/4885
US-20200120923-A1 STABILISATION OF BIOLOGICAL SAMPLES RNASE1, RNASEH1, EWSR1 CA12 781/4885CA1 2628/4885CA2 3313/4885

“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.