SCHEMBL5014205

SCHEMBL5014205

Fc1cccc(F)c1.O=S(=O)(O)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PTPN1 P18031 1/20 0.46
PARP1 P09874 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NFE2L2 Q16236 1/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
KCNN4 O15554 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ESR2 Q92731 1/20 0.40
NQO2 P16083 1/20 0.39

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
SCHEMBL851628 0.90 CES2 (0.46) CES2CES1PTPN1PARP1MEN1
SCHEMBL27963700 0.85 ACHE (0.48) CES2CES1PTPN1PARP1ACHE
Fluorobenzene SCHEMBL974376 0.82 TSHR (0.46) MEN1KMT2ARAB9AKCNN4CA1
SCHEMBL27703350 0.81 CES2 (0.48) CES2CES1PTPN1PARP1MEN1
SCHEMBL1170349 0.81 MEN1 (0.50) CES2CES1PTPN1MEN1KMT2A
SCHEMBL27487823 0.78 TAAR1 (0.54) PTPN1PTGS1PTGS2ESR2KAT6A
SCHEMBL13329 0.78
SCHEMBL7470029 0.76 KMT2A (0.58) CES2CES1PARP1MEN1KMT2A
SCHEMBL7104138 0.76 PTGS2 (0.40) CES2CES1PTPN1MEN1KMT2A
SCHEMBL7161162 0.76 TP53 (0.46) KAT6A

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
EP-3159342-B1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR CISEN PHARMACEUTICAL CO LTD (CN) 2020-08-05 EP disclosed
US-9868737-B2 Pyridino[1,2-A]pyrimidone analogue used as MTOR/P13K inhibitor CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-16 US disclosed
US-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR SHANGHAI JIA TAN PHARMATECH CO. LTD. (CN) 2017-05-11 US disclosed
EP-3159342-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/PI3K INHIBITOR Cisen Pharmaceutical Co. Ltd. (CN) 2017-04-26 EP disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US disclosed
US-7288599-B2 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN 2007-10-30 US disclosed
US-20050165172-A1 Oligomers and polymers containing sulfinate groups, and method for producing the same KERRES JOCHEN (DE) 2005-07-28 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-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR MTOR, PIK3CA, PIK3CD CES2 4115/4885CES1 3082/4885PTPN1 311/4885

“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.