SCHEMBL3434693

SCHEMBL3434693

Cc1cc(NS(=O)(=O)c2ccccc2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KMO O15229 1/20 0.56
TSHR P16473 3/20 0.55
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
CYP2C19 P33261 1/20 0.49
HSD11B1 P28845 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.48
CYTH2 Q99418 2/20 0.47
IL1RN P18510 1/20 0.46
KEAP1 Q14145 1/20 0.46

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
SCHEMBL2177837 0.84 CYP2C19 (0.68) KDM4EALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL2180044 0.81 KMT2A (0.55) KDM4EALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL8055002 0.80 KMO (0.52) KDM4EALDH1A1HPGDHSD17B10KMO
SCHEMBL31633227 0.80 CYP2C19 (0.75) KDM4EALDH1A1KMOTSHRGAA
SCHEMBL30978874 0.79 ALDH1A1 (0.72) KDM4EALDH1A1TSHRPKMNPSR1
SCHEMBL24554275 0.77 KDM4E (0.77) KDM4EALDH1A1HPGDPKMNPSR1
SCHEMBL29967291 0.77 KDM4E (0.77) KDM4EALDH1A1HPGDPKMNPSR1
SCHEMBL1381858 0.77 PDE4A (0.73) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1094344 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL12900075 0.74 POLB (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR

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 12 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
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-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 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 KDM4E 382/4885ALDH1A1 424/4885HPGD 2594/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885HPGD 2594/4885

“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.