SCHEMBL755105

SCHEMBL755105

CCOC(=O)C(OCc1ccccc1)C(=O)c1nnc(Cc2ccc(F)cc2)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 4/20 0.50
MAPT P10636 4/20 0.50
THRB P10828 3/20 0.50
ELANE P08246 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
KMT2A Q03164 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
APLNR P35414 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
SCHEMBL755609 0.78 LMNA (0.41) NPSR1MAPTL3MBTL1LMNAKDM4E
SCHEMBL756599 0.77 NPSR1 (0.70) NPSR1TP53MAPTTHRBL3MBTL1
SCHEMBL554576 0.74 NPSR1 (0.52) NPSR1MAPTPOLBLMNAMEN1
SCHEMBL8329550 0.72 L3MBTL1 (0.54) MAPTL3MBTL1POLBLMNAMEN1
SCHEMBL754611 0.71 PPARA (0.47) L3MBTL1LMNAALDH1A1
SCHEMBL20050243 0.70 NPSR1 (0.53) NPSR1POLBLMNAALDH1A1
SCHEMBL8329553 0.70 L3MBTL1 (0.51) MAPTL3MBTL1POLBLMNAMEN1
SCHEMBL7005190 0.69 LMNA (0.41) L3MBTL1LMNAMEN1ALDH1A1KMT2A
SCHEMBL13195088 0.69 ALDH1A1 (0.51) NPSR1MAPTL3MBTL1POLBLMNA
SCHEMBL9044319 0.68 TSHR (0.40) NPSR1TP53MAPTL3MBTL1POLB

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 14 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-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
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
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 NPSR1 4178/4885TP53 1493/4885MAPT 4635/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885TP53 948/4885MAPT 4426/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPSR1 4131/4885TP53 948/4885MAPT 4426/4885

“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.