SCHEMBL752986

SCHEMBL752986

CC(C)Oc1cc(F)ccc1Cc1ccc(C(=O)C2=C(O)C(=O)N(C(C)C)C2)o1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.34
TMEM97 Q5BJF2 4/20 0.34
SIGMAR1 Q99720 4/20 0.34
P2RX3 P56373 11/20 0.33
P2RX7 Q99572 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
PTGER1 P34995 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL752749 0.92 KCNH2 (0.34) KCNH2P2RX7ALDH1A1POLBLIPG
SCHEMBL749616 0.90 LIPG (0.41) KCNH2TMEM97SIGMAR1LIPGHTR2A
SCHEMBL752149 0.89 USP2 (0.34) KCNH2TMEM97SIGMAR1ALDH1A1POLB
SCHEMBL16921574 0.87 ALDH1A1 (0.34) KCNH2P2RX7ALDH1A1POLBLIPG
SCHEMBL751997 0.85 ALDH1A1 (0.33) ALDH1A1POLBLIPG
SCHEMBL753182 0.85 HTT (0.37) P2RX3ALDH1A1POLBLIPG
SCHEMBL753137 0.84 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL752004 0.84 ALDH1A1 (0.40) ALDH1A1POLBLIPG
SCHEMBL16921573 0.82 ALDH1A1 (0.31) ALDH1A1POLBLIPG
SCHEMBL765536 0.82 ALDH1A1 (0.36) ALDH1A1POLB

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 10 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
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 KCNH2 3468/4885TMEM97 3304/4885SIGMAR1 1836/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KCNH2 3830/4885TMEM97 4194/4885SIGMAR1 1890/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KCNH2 3830/4885TMEM97 4194/4885SIGMAR1 1890/4885

“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.