SCHEMBL756649

SCHEMBL756649

CC(C)N1CC(c2cc(NS(=O)(=O)c3ccccc3)ncn2)=C(O)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
CYTH2 Q99418 2/20 0.35
ALDH1A1 P00352 6/20 0.35
HTT P42858 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC40A1 Q9NP59 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL756752 0.86 KMO (0.49) KMOCYTH2ALDH1A1HTTHSD17B10
SCHEMBL3434693 0.67 KDM4E (0.58) KMOCYTH2ALDH1A1HTTHSD17B10
SCHEMBL754568 0.65 ACACB (0.40) ALDH1A1HTTKDM4EHPGDSMN1; SMN2
SCHEMBL754532 0.65 JAK2 (0.43) KDM4EPOLBLMNATSHR
SCHEMBL14758742 0.64 KMO (1.00) KMOCYP2C19GAAPOLBSLC40A1
SCHEMBL755666 0.64 P2RX3 (0.35) HSD17B10POLBSMN1; SMN2USP2TSHR
SCHEMBL31633227 0.64 CYP2C19 (0.75) KMOALDH1A1HTTCYP2C19GAA
SCHEMBL8055002 0.64 KMO (0.52) KMOALDH1A1HTTHSD17B10CYP2C19
SCHEMBL2178561 0.63 KMO (0.62) KMOALDH1A1CYP2C19KDM4ESMN1; SMN2
SCHEMBL14742216 0.62 KMO (0.80) KMOALDH1A1CYP2C19GAAKDM4E

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 13 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-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
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 (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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT KMO 1556/4885CYTH2 2977/4885ALDH1A1 658/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KMO 1453/4885CYTH2 3605/4885ALDH1A1 424/4885

“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.