SCHEMBL1015936

SCHEMBL1015936

CCCSc1nc(N2CCN(C(C)=O)CC2)ncc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.47
HSD11B1 P28845 2/20 0.46
ACHE P22303 3/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
SMO Q99835 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
GBA1 P04062 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL1014359 0.87 SYK (0.48) PTPN11HSD11B1SMOPOLBSMN1; SMN2
SCHEMBL1013041 0.85 HSD11B1 (0.60) PTPN11HSD11B1POLBLMNACASP1
SCHEMBL1012897 0.81 HSD11B1 (0.66) HSD11B1
SCHEMBL1013553 0.79 SMN1; SMN2 (0.44) PTPN11CKS1BSKP1SKP2SMO
SCHEMBL1018091 0.79 HSD11B1 (0.46) HSD11B1SMN1; SMN2LMNA
SCHEMBL1014538 0.77 HSD11B1 (0.80) HSD11B1
SCHEMBL4293710 0.77 HSD11B1 (0.80) HSD11B1
SCHEMBL1015456 0.73 RAB9A (0.45) HSD11B1POLBSMN1; SMN2MAPK1CYP2C9
SCHEMBL1013058 0.73 HSD11B1 (0.51) HSD11B1POLBSMN1; SMN2KDM4E
SCHEMBL1013198 0.72 HPGD (0.55) HSD11B1SMN1; SMN2LMNAKDM4EMAPK1

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 PTPN11 3353/4885HSD11B1 2/4885ACHE 3645/4885

“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.