SCHEMBL12995243

SCHEMBL12995243

CC(OC(=O)Nc1ccc(-c2c(C(=O)NC3CC3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.38
HRH3 Q9Y5N1 13/20 0.37
HTR3A P46098 1/20 0.34
FAAH O00519 1/20 0.34
EPHX2 P34913 1/20 0.34
DYRK1A Q13627 1/20 0.33
RIPK2 O43353 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
SCHEMBL12995078 0.96 S1PR3 (0.39) S1PR3HRH3HTR3AFAAHEPHX2
SCHEMBL12995244 0.91 S1PR3 (0.39) S1PR3HRH3DYRK1A
SCHEMBL12995261 0.91 S1PR3 (0.38) S1PR3HRH3DYRK1A
SCHEMBL12995221 0.88 HRH3 (0.39) S1PR3HRH3
SCHEMBL12995260 0.88 HRH3 (0.38) S1PR3HRH3DYRK1A
SCHEMBL12995246 0.88 S1PR3 (0.36) S1PR3HRH3DYRK1A
SCHEMBL13053211 0.87 HRH3 (0.37) S1PR3HRH3DYRK1A
SCHEMBL12995218 0.87 S1PR3 (0.38) S1PR3HRH3DYRK1A
SCHEMBL12995242 0.87 MEN1 (0.40) HTR3A
SCHEMBL12995225 0.87 HRH3 (0.37) S1PR3HRH3DYRK1A

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 S1PR3 1968/4885HRH3 3336/4885HTR3A 4275/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885HRH3 3336/4885HTR3A 4275/4885

“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.