SCHEMBL4670937

SCHEMBL4670937

O=C(O)C(O)=CC(=O)c1cnn(S(=O)(=O)c2ccc(F)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
PTGS2 P35354 2/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
AKR1C3 P42330 1/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
MMP3 P08254 2/20 0.34
MMP8 P22894 2/20 0.34
GRM4 Q14833 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR183 P32249 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
SCHEMBL4671799 0.88 GRM4 (0.37) PKMGAAGRM4LMNA
SCHEMBL4674580 0.88 ALDH1A1 (0.39) AKR1C2AKR1C1AKR1C3L3MBTL1MEN1
SCHEMBL4671338 0.79 CXCR3 (0.33) PTGS2AKR1C3L3MBTL1KMT2AGAA
SCHEMBL4672230 0.79 KMT2A (0.33) MAPTPTGS2AKR1C3POLBKDM4E
SCHEMBL4676800 0.77 PKM (0.48) MAPTPTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL4676797 0.77 PKM (0.48) MAPTPTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL4672324 0.76 AKR1C3 (0.44) MAPTPTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL4676683 0.73 MAPT (0.39) MAPTPTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL4674509 0.73 LMNA (0.51) MAPTKDM4ELMNAHTT
SCHEMBL8105255 0.71 MAPT (0.58) MAPTPTGS2AKR1C2AKR1C1AKR1C3

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-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 MAPT 205/4885PTGS2 4586/4885AKR1C2 24/4885

“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.