SCHEMBL756752

SCHEMBL756752

CN1CC(c2cc(NS(=O)(=O)c3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.49
BRD4 O60885 1/20 0.39
PRF1 P14222 2/20 0.38
CYTH2 Q99418 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CA P42336 1/20 0.36
POLB P06746 2/20 0.36
TRIM24 O15164 1/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL756649 0.86 KMO (0.47) KMOCYTH2CYP2C19ALDH1A1KDM4E
SCHEMBL752750 0.73 NPC1 (0.50) CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL3434693 0.69 KDM4E (0.58) KMOCYTH2CYP2C19ALDH1A1KDM4E
SCHEMBL14758742 0.66 KMO (1.00) KMOCYP2C19PIK3CAPOLBSLC40A1
SCHEMBL8055002 0.66 KMO (0.52) KMOCYP2C19ALDH1A1KDM4EHPGD
SCHEMBL31633227 0.66 CYP2C19 (0.75) KMOCYP2C19ALDH1A1KDM4EPOLB
SCHEMBL2178561 0.65 KMO (0.62) KMOCYP2C19ALDH1A1KDM4ELMNA
SCHEMBL14742216 0.64 KMO (0.80) KMOCYP2C19ALDH1A1KDM4EPOLB
SCHEMBL753011 0.63 JAK2 (0.45) KDM4EPOLBLMNA
SCHEMBL25559898 0.63 KIT (0.53) KMOCYP2C19ALDH1A1KDM4EPIK3CA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP 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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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
CN-101513402-B Antiviral agent SHIONOGI & CO 2012-03-21 CN disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP 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
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT KMO 1556/4885BRD4 586/4885PRF1 1109/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMO 1453/4885BRD4 427/4885PRF1 1991/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMO 1453/4885BRD4 427/4885PRF1 1991/4885

“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.