SCHEMBL754250

SCHEMBL754250

Cc1nc(C(=O)O)c(CCc2ccc(F)cc2)o1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
NR3C2 P08235 1/20 0.37
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
EIF4A1 P60842 1/20 0.35
HPGD P15428 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
SCHEMBL752335 0.89 PTGS2 (0.40) EGLN1PTGS1PTGS2NR3C2ALDH1A1
SCHEMBL7511179 0.88 KMT2A (0.40) NR3C2FFAR1ALDH1A1LMNATSHR
SCHEMBL754062 0.87 NPSR1 (0.41) EGLN1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL11741106 0.87 P2RX3 (0.44) FFAR1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL2490061 0.85 POLB (0.44) EGLN1NR3C2ALDH1A1LMNASMN1; SMN2
SCHEMBL2490103 0.80 EGLN1 (0.43) EGLN1NR3C2ALDH1A1LMNATSHR
SCHEMBL764271 0.78 EGLN1 (0.38) EGLN1PTGS1PTGS2NR3C2ALDH1A1
SCHEMBL764272 0.78 EGLN1 (0.38) EGLN1PTGS1PTGS2NR3C2ALDH1A1
SCHEMBL7512877 0.78 NR3C2 (0.45) NR3C2ALDH1A1KMT2A
SCHEMBL7508066 0.77 BCL2 (0.40) PTGS2ALDH1A1KMT2A

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

“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.