SCHEMBL4792137

SCHEMBL4792137

CCOC(=O)c1c(-c2ccc(Oc3ccc(F)cc3)cc2)oc2cc(N)c(OC(C)C)cc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.53
KDM4E B2RXH2 7/20 0.52
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
RCE1 Q9Y256 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.45
PRNP P04156 1/20 0.44

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
SCHEMBL3535680 0.95 KDM4E (0.51) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL12940320 0.91 PTGS2 (0.55) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4790830 0.86 PTGS2 (0.54) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL2297483 0.86 PTGS2 (0.50) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4790814 0.86 PTGS2 (0.56) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3396085 0.86 PTGS2 (0.58) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL12940051 0.86 KDM4E (0.52) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL4792138 0.85 PTGS2 (0.49) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3539094 0.85 MEN1 (0.55) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL2297611 0.85 ATM (0.43) KDM4EMEN1KMT2AALDH1A1HPGD

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-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
WO-2012058125-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-03 WO 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS PTGS2 3629/4885KDM4E 3905/4885MEN1 4815/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS PTGS2 3629/4885KDM4E 3905/4885MEN1 4815/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS PTGS2 3629/4885KDM4E 3905/4885MEN1 4815/4885

“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.