SCHEMBL752847

SCHEMBL752847

CC(C)N1CC(C(=O)c2sccc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.35
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CCR6 P51684 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL752606 0.86 LIPG (0.48) LIPGLMNAKDM4EHSP90AA1ALDH1A1
SCHEMBL753520 0.80 LIPG (0.38) LIPGLMNAKDM4EHSP90AA1ALDH1A1
SCHEMBL753282 0.79 LIPG (0.37) LIPGLMNAKDM4EHSP90AA1RXFP1
SCHEMBL3428686 0.78 HSD17B2 (0.38) LIPGLMNAKDM4ENPC1POLB
SCHEMBL753966 0.78 CNR2 (0.37) LIPGLMNAKDM4EHSP90AA1RXFP1
SCHEMBL754479 0.78 CNR2 (0.37) LIPGHSP90AA1RXFP1POLBALDH1A1
SCHEMBL752004 0.78 ALDH1A1 (0.40) LIPGLMNAKDM4ERXFP1POLB
SCHEMBL752989 0.76 SMN1; SMN2 (0.42) LIPGLMNAKDM4ERXFP1NPC1
SCHEMBL752780 0.76 LIPG (0.36) LIPGLMNAKDM4EALDH1A1MEN1
SCHEMBL754318 0.76 LIPG (0.36) LIPGLMNAKDM4EHSP90AA1ALDH1A1

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 10 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
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
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
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 LIPG 3541/4885LMNA 2825/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885LMNA 2945/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885LMNA 2945/4885KDM4E 382/4885

“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.