SCHEMBL7948329

SCHEMBL7948329

CC(C)C(=O)C(Br)C(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
PTPN1 P18031 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
GSK3B P49841 2/20 0.38
RAB9A P51151 1/20 0.37
HTR7 P34969 1/20 0.37
MAPT P10636 1/20 0.37
TRPA1 O75762 2/20 0.37
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL526237 0.81 CES2 (0.46) CES2CES1PTPN1CA1CA2
SCHEMBL1938267 0.80 CES2 (0.50) CES2CES1PTPN1CA1CA2
SCHEMBL204960 0.80 CES2 (0.54) CES2CES1PTPN1CA1CA2
SCHEMBL6726501 0.80 CES2 (0.54) CES2CES1PTPN1CA1CA2
SCHEMBL9441555 0.78 CES2 (0.43) CES2CES1PTPN1CA1CA2
SCHEMBL974872 0.76 RAB9A (0.44) CES2CES1PTPN1CA1CA2
SCHEMBL3364624 0.76 GSK3B (0.61) CES2CES1PTPN1CA1CA2
SCHEMBL27032575 0.76 BCL2L1 (0.53) CES2CES1PTPN1CA1CA2
SCHEMBL2448326 0.74 CES2 (0.52) CES2CES1PTPN1CA1CA2
SCHEMBL29077329 0.74 CES2 (0.52) CES2CES1PTPN1CA1CA2

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
US-8034932-B2 Hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitor; anticholesterol agents;dyslipidemia; chemical intermediate for rosuvastatin ASTRAZENECA UK LIMITED (GB) 2011-10-11 US disclosed
US-8034932-B2 Hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitor; anticholesterol agents;dyslipidemia; chemical intermediate for rosuvastatin ASTRAZENECA UK LIMITED (GB) 2011-10-11 US disclosed
EP-2361906-A1 Process for preparing rosuvastatin AstraZeneca UK Limited (GB) 2011-08-31 EP disclosed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO disclosed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US disclosed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 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-20080207903-A1 Chemical Process CYP2C9, CYP2B6, CYP7A1 CES2 75/4885CES1 135/4885PTPN1 3517/4885

“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.