SCHEMBL1015343

SCHEMBL1015343

Cc1ncc(C(=O)O)c(C2CCC(F)(F)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.42
S1PR4 O95977 5/20 0.35
S1PR1 P21453 5/20 0.35
S1PR3 Q99500 5/20 0.35
S1PR5 Q9H228 5/20 0.35
EIF4EBP1 Q13541 2/20 0.34
MAPK3 P27361 2/20 0.33
MAPK1 P28482 2/20 0.33
SYK P43405 2/20 0.33
KCNH2 Q12809 2/20 0.33
AURKB Q96GD4 2/20 0.33
FFAR2 O15552 1/20 0.33
PDE10A Q9Y233 1/20 0.33
P2RX7 Q99572 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
HPGD P15428 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
AKT3 Q9Y243 1/20 0.32
MAPK8 P45983 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
SCHEMBL1018048 0.89 HSD11B1 (0.43) HSD11B1EIF4EBP1KCNH2P2RX7HPGD
SCHEMBL1014732 0.86 HSD11B1 (0.43) HSD11B1MAPK3MAPK1SYKKCNH2
SCHEMBL1015670 0.81 HSD11B1 (0.50) HSD11B1HPGD
SCHEMBL1015020 0.79 HSD11B1 (0.52) HSD11B1S1PR1HPGD
SCHEMBL28059199 0.77 HSD11B1 (0.51) HSD11B1S1PR1TBK1HPGD
SCHEMBL4295193 0.76 HSD11B1 (0.80) HSD11B1
SCHEMBL4295196 0.76 HSD11B1 (0.80) HSD11B1
SCHEMBL27810927 0.75 HSD11B1 (0.38) HSD11B1
SCHEMBL1014879 0.75 HSD11B1 (0.43) HSD11B1KCNH2P2RX7MAPK8
SCHEMBL1015391 0.72 MEN1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102066335-A Substituted pyrimidin-5-carboxamides 281 ASTRAZENECA AB 2011-05-18 CN disclosed
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 2/4885S1PR4 1879/4885S1PR1 1559/4885

“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.