SCHEMBL752957

SCHEMBL752957

O=S(=O)(c1ccccc1)n1cccc1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
PPME1 Q9Y570 3/20 0.48
PKM P14618 1/20 0.46
RAPGEF4 Q8WZA2 4/20 0.46
HTR6 P50406 4/20 0.44
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALDH3A1 P30838 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
ELAVL1 Q15717 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL10466733 0.74 RAPGEF4 (0.76) PTGDR2PPME1RAPGEF4HTR6MEN1
SCHEMBL27577523 0.74 RAPGEF4 (0.53) PTGDR2PPME1RAPGEF4HTR6MEN1
SCHEMBL9902100 0.74 RAPGEF4 (0.53) PTGDR2PPME1RAPGEF4HTR6MEN1
SCHEMBL752913 0.73 HTR6 (0.55) PPME1PKMHTR6KDM4EMAPT
SCHEMBL15016499 0.72 PTGDR2 (0.60) PTGDR2RAPGEF4HTR6KDM4EMEN1
SCHEMBL10467848 0.72 RAPGEF4 (0.58) PTGDR2PPME1RAPGEF4HTR6MEN1
SCHEMBL3968075 0.72 PPME1 (0.55) PPME1PKMRAPGEF4HTR6ALDH3A1
SCHEMBL4670695 0.71 PPME1 (0.44) PTGDR2PPME1PKMHTR6KDM4E
SCHEMBL14113374 0.71 RAPGEF4 (0.53) PTGDR2PPME1RAPGEF4HTR6MEN1
SCHEMBL7938372 0.71 HTR2A (0.58) PKMHTR6EGFRERBB2

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 16 patents. 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
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
CN-101513402-A Antiviral agent SHIONOGI & CO (JP) 2009-08-26 CN disclosed
CN-100491349-C Antiviral agent SHIONOGI & CO (JP) 2009-05-27 CN disclosed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGDR2 4493/4885PPME1 1003/4885PKM 3889/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGDR2 4493/4885PPME1 1003/4885PKM 3889/4885

“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.