SCHEMBL12995204

SCHEMBL12995204

CC(C)OC(=O)Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
S1PR3 Q99500 2/20 0.35
EPHX2 P34913 4/20 0.35
NR3C1 P04150 2/20 0.34
PDE9A O76083 1/20 0.34
FAAH O00519 1/20 0.34
ABL1 P00519 1/20 0.34
PTGES O14684 3/20 0.34
NR1H4 Q96RI1 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL12995323 0.96 HRH3 (0.35) HRH3S1PR3EPHX2NR3C1PDE9A
SCHEMBL12995208 0.92 RIPK3 (0.39) HRH3S1PR3
SCHEMBL12995211 0.90 S1PR3 (0.38) HRH3S1PR3
SCHEMBL12995045 0.90 HRH3 (0.38) HRH3S1PR3EPHX2FAAHABL1
SCHEMBL12995212 0.88 KDM1A (0.35) HRH3S1PR3EPHX2PDE9A
SCHEMBL12995324 0.88 RORC (0.39) HRH3S1PR3RAF1BRAF
SCHEMBL12995172 0.88 HRH3 (0.34) HRH3S1PR3EPHX2FAAHABL1
SCHEMBL12995206 0.87 TP53 (0.37) EPHX2PTGES
SCHEMBL12994954 0.87 S1PR3 (0.39) HRH3S1PR3
SCHEMBL12995109 0.87 HRH3 (0.35) HRH3S1PR3ABL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (2 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885S1PR3 1968/4885EPHX2 2630/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885S1PR3 1968/4885EPHX2 2630/4885

“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.