SCHEMBL752335

SCHEMBL752335

CC(=O)c1nc(C)oc1CCc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
NR3C2 P08235 1/20 0.37
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 3/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL754250 0.89 EGLN1 (0.42) PTGS2PTGS1EGLN1NR3C2ALDH1A1
SCHEMBL764368 0.87 NPSR1 (0.41) PTGS2EGLN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL2490061 0.85 POLB (0.44) EGLN1NR3C2ALDH1A1SMN1; SMN2LMNA
SCHEMBL2490103 0.80 EGLN1 (0.43) EGLN1NR3C2ALDH1A1SMN1; SMN2LMNA
SCHEMBL7511179 0.77 KMT2A (0.40) NR3C2ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL764271 0.76 EGLN1 (0.38) PTGS2PTGS1EGLN1NR3C2ALDH1A1
SCHEMBL764272 0.76 EGLN1 (0.38) PTGS2PTGS1EGLN1NR3C2ALDH1A1
SCHEMBL754062 0.75 NPSR1 (0.41) EGLN1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL11741106 0.75 P2RX3 (0.44) ALDH1A1SMN1; SMN2LMNATSHRPOLB
SCHEMBL18531611 0.73 NPSR1 (0.40) PTGS2EGLN1ALDH1A1SMN1; SMN2LMNA

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 11 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-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 PTGS2 3738/4885PTGS1 2968/4885EGLN1 2565/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGS2 3754/4885PTGS1 2889/4885EGLN1 2916/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGS2 3754/4885PTGS1 2889/4885EGLN1 2916/4885

“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.