SCHEMBL755140

SCHEMBL755140

COc1ccc(N2CC(C(=O)c3ccc(Cc4ccc(F)cc4)o3)=C(O)C2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
RGS4 P49798 1/20 0.39
RGS8 P57771 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL752899 0.80 LIPG (0.51) POLBALDH1A1LMNALIPG
SCHEMBL2486832 0.78 ALDH1A1 (0.41) POLBALDH1A1LMNALIPGMAPT
SCHEMBL752862 0.78 LIPG (0.41) POLBALDH1A1LMNAHPGDLIPG
SCHEMBL752004 0.77 ALDH1A1 (0.40) RXFP1POLBALDH1A1LMNAHPGD
SCHEMBL751986 0.77 LIPG (0.41) TP53POLBALDH1A1LMNAHPGD
SCHEMBL752967 0.77 POLB (0.38) RXFP1POLBALDH1A1LMNALIPG
SCHEMBL754217 0.76 LIPG (0.40) RXFP1POLBALDH1A1LMNALIPG
SCHEMBL753133 0.76 LIPG (0.43) TP53POLBALDH1A1LMNALIPG
SCHEMBL18633315 0.76 POLB (0.39) RXFP1POLBALDH1A1LMNALIPG
SCHEMBL751187 0.76 ALDH1A1 (0.39) RXFP1POLBALDH1A1LMNAHPGD

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 9 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
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 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 RXFP1 4551/4885TP53 1493/4885POLB 89/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RXFP1 4067/4885TP53 948/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RXFP1 4067/4885TP53 948/4885POLB 107/4885

“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.