SCHEMBL1013041

SCHEMBL1013041

CCCSc1nc(N2CCOCC2)ncc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.60
POLB P06746 1/20 0.49
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
PTPN11 Q06124 1/20 0.45
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1015952 0.86 HSD11B1 (0.57) HSD11B1POLBKDM4EALDH1A1LMNA
SCHEMBL1015936 0.85 PTPN11 (0.47) HSD11B1POLBKDM4EPTPN11LMNA
SCHEMBL1018091 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1LMNANPSR1ALOX15
SCHEMBL28787757 0.77 POLB (0.50) HSD11B1POLBKDM4EALDH1A1PTPN11
SCHEMBL1013949 0.77 POLB (0.59) HSD11B1POLBKDM4EALDH1A1PTPN11
SCHEMBL1014524 0.76 HSD11B1 (1.00) HSD11B1
SCHEMBL1014523 0.76 HSD11B1 (1.00) HSD11B1
SCHEMBL4132326 0.75 POLB (0.48) HSD11B1POLBKDM4EALDH1A1PTPN11
SCHEMBL245978 0.74 PTPN11 (0.69) POLBKDM4EALDH1A1PTPN11KMT2A
SCHEMBL8085653 0.74 POLB (0.59) HSD11B1POLBKDM4EALDH1A1PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 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 (1 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 HSD11B1 2/4885POLB 2006/4885KDM4E 1727/4885

“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.