SCHEMBL755448

SCHEMBL755448

CC(C)Oc1cccc(Cc2ccc(C(=O)C3=C(O)C(=O)N(C(C)C)C3)o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
PARP1 P09874 1/20 0.35
LMNA P02545 2/20 0.34
DHFR P00374 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
GAA P10253 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
TP53 P04637 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL765859 0.86 LIPG (0.37) P2RX3LMNASMN1; SMN2HTTPOLB
SCHEMBL752149 0.83 USP2 (0.34) LMNASMN1; SMN2GAAHTTPOLB
SCHEMBL753094 0.81 PDE10A (0.34) HTT
SCHEMBL752004 0.81 ALDH1A1 (0.40) LMNAMEN1HTTKMT2APOLB
SCHEMBL16921572 0.78 TYMP (0.35) LMNASMN1; SMN2MEN1HTTKMT2A
SCHEMBL756751 0.78 NQO1 (0.36) P2RX3LMNAMAPT
SCHEMBL765536 0.78 ALDH1A1 (0.36) LMNASMN1; SMN2GAAMEN1KMT2A
SCHEMBL755472 0.76 LMNA (0.34) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL751193 0.76 PARP1 (0.33) PARP1LMNAPOLBALDH1A1
SCHEMBL755594 0.75 P2RX3 (0.44) P2RX3PARP1LMNADHFRSMN1; SMN2

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 P2RX3 3526/4885PARP1 463/4885LMNA 2825/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885PARP1 509/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI P2RX3 3021/4885PARP1 509/4885LMNA 2945/4885

“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.