SCHEMBL765801

SCHEMBL765801

O=C(c1ccc(F)cc1)c1cccn1S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPME1 Q9Y570 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD11B1 P28845 2/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA2 P17301 1/20 0.40

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
SCHEMBL2718306 0.86 LMNA (0.49) PPME1ALDH1A1HSD11B1PKMLMNA
SCHEMBL27662268 0.85 PPME1 (0.49) PPME1ALDH1A1PKMLMNAKMT2A
SCHEMBL4678724 0.82 RAPGEF4 (0.51) ALDH1A1HSD11B1KMT2AMEN1MAPT
SCHEMBL17900455 0.78 PPME1 (0.49) PPME1ALDH1A1PKMLMNAKMT2A
SCHEMBL6420299 0.77 GAA (0.50) ALDH1A1PKMLMNAKMT2AMEN1
SCHEMBL1365701 0.75 PKM (0.51) PPME1ALDH1A1PKMLMNAKMT2A
SCHEMBL4675478 0.74 PKM (0.62) ALDH1A1HSD11B1PKMKMT2AMEN1
SCHEMBL4684791 0.74 SMN1; SMN2 (0.44) PPME1ALDH1A1LMNAKMT2AMEN1
SCHEMBL4677291 0.74 PPME1 (0.45) PPME1ALDH1A1PKMLMNAMAPT
SCHEMBL4677293 0.74 PPME1 (0.45) PPME1ALDH1A1PKMLMNAMAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-1885709-A2 BENZOFURAN DERIVATIVES WITH THERAPEUTIC ACTIVITIES Pharmos Corporation (US) 2008-02-13 EP disclosed
WO-2006129318-A2 BENZOFURAN DERIVATIVES WITH THERAPEUTIC ACTIVITIES PHARMOS CORPORATION (US) 2006-12-07 WO disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN disclosed
CN-1178913-C Aromatic heterocycle compounds having HIV integrase inhibiting activities ��Ұ����ҩ��ʽ���� 2004-12-08 CN 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 (3 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 PPME1 2162/4885ALDH1A1 980/4885HSD11B1 23/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPME1 1003/4885ALDH1A1 424/4885HSD11B1 749/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PPME1 1003/4885ALDH1A1 424/4885HSD11B1 749/4885

“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.