SCHEMBL2449128

SCHEMBL2449128

O=C1CCSCC1C(=O)Cc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
CPA1 P15085 1/20 0.38
GAA P10253 1/20 0.36
CTBP2 P56545 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL13867248 0.73 PTGS2 (0.37) POLBCPA1GAAHTT
SCHEMBL2444446 0.71 POLB (0.38) POLBGAACTBP2SMN1; SMN2LMNA
SCHEMBL5773905 0.69 FOLH1 (0.33) LMNA
SCHEMBL11830380 0.69 DRD2 (0.41) GAASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL27842627 0.69 POLB (0.40) POLBCPA1GAACTBP2SMN1; SMN2
SCHEMBL9664669 0.68 GAA (0.47) POLBGAACTBP2SMN1; SMN2LMNA
SCHEMBL7676041 0.67 MCL1 (0.32)
SCHEMBL11185173 0.64 GAA (0.55) POLBGAACTBP2SMN1; SMN2LMNA
SCHEMBL6469067 0.64 SMN1; SMN2 (0.50) POLBGAASMN1; SMN2LMNAALDH1A1
SCHEMBL2443914 0.64 TNKS2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
US-8188101-B2 Dihydropyridopyrimidines for the treatment of AB-related pathologies ASTRAZENECA AB (SE) 2012-05-29 US disclosed
EP-2367826-A1 MODULATORS OF AMYLOID BETA. AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
US-20100130495-A1 COMPOUNDS 563 ASTRAZENECA AB (SE) 2010-05-27 US disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO disclosed
WO-2010053438-A1 MODULATORS OF AMYLOID BETA. ASTRAZENECA AB (SE) 2010-05-14 WO 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-20100130495-A1 COMPOUNDS 563 BACE1, PSEN1, PSEN2 POLB 1195/4885CPA1 4333/4885GAA 372/4885

“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.