SCHEMBL12995309

SCHEMBL12995309

CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.33
RAF1 P04049 7/20 0.33
BRAF P15056 7/20 0.33
S1PR3 Q99500 2/20 0.32
ABL1 P00519 2/20 0.32
SYK P43405 1/20 0.32
FAAH O00519 1/20 0.32
EPHX2 P34913 1/20 0.32
RORC P51449 1/20 0.32
DYRK1A Q13627 1/20 0.32
IDH1 O75874 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
SCHEMBL12995172 0.96 HRH3 (0.34) HRH3RAF1BRAFS1PR3ABL1
SCHEMBL12995313 0.92 HRH3 (0.33) HRH3S1PR3RORCDYRK1AIDH1
SCHEMBL10096121 0.89 MAPT (0.33) RORCIDH1
SCHEMBL12995315 0.89 HRH3 (0.34) HRH3RAF1BRAFS1PR3ABL1
SCHEMBL12995171 0.88 NPY1R (0.35) HRH3S1PR3DYRK1AIDH1
SCHEMBL12995323 0.88 HRH3 (0.35) HRH3RAF1BRAFS1PR3ABL1
SCHEMBL12995461 0.87 EPHX2 (0.41) FAAHEPHX2
SCHEMBL12995279 0.87 FAAH (0.38) HRH3RAF1BRAFS1PR3FAAH
SCHEMBL12995236 0.86 HRH3 (0.37) HRH3RAF1BRAFS1PR3ABL1
SCHEMBL12995311 0.86 DYRK1A (0.34) HRH3RAF1BRAFS1PR3RORC

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 6 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

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 3336/4885RAF1 2981/4885BRAF 3977/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885RAF1 2981/4885BRAF 3977/4885

“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.