SCHEMBL754363

SCHEMBL754363

COC(=O)C(=[N+]=[N-])C(=O)CCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
HPGD P15428 1/20 0.41
FFAR1 O14842 2/20 0.40
F2RL1 P55085 1/20 0.39
FPR2 P25090 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL754098 0.85 EGFR (0.43) EGFRERBB2CA12CA1CA2
SCHEMBL7061791 0.83 PLAAT3 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL8748648 0.76 F2RL1 (0.58) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL8749106 0.75 ALDH1A1 (0.46) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL28313826 0.74 LMNA (0.47) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL8748624 0.73 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL2723440 0.73 CYP11B1 (0.57) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7061447 0.72 CTBP2 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL7061445 0.72 CTBP2 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL21176846 0.71 KMT2A (0.46) EGFRERBB2TSHRALDH1A1LMNA

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
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 (1 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 PLAAT3 4674/4885PLAAT5 4450/4885PLAAT2 4474/4885

“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.