SCHEMBL12995296

SCHEMBL12995296

Cc1cnoc1-c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.34
DYRK1A Q13627 2/20 0.33
S1PR3 Q99500 2/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
RORC P51449 1/20 0.31
ACACB O00763 1/20 0.31
NPY1R P25929 1/20 0.31
BRD4 O60885 1/20 0.31
GSK3B P49841 1/20 0.31
ABL1 P00519 1/20 0.31
FFAR1 O14842 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
SCHEMBL10096116 0.89 PIK3CA (0.35) ACACB
SCHEMBL12995281 0.88 P2RX3 (0.36) HRH3DYRK1AS1PR3RAF1BRAF
SCHEMBL12995292 0.88 S1PR3 (0.35) HRH3DYRK1AS1PR3RAF1BRAF
SCHEMBL12995442 0.87 EPHX2 (0.37) HRH3
SCHEMBL13053606 0.87 HRH3 (0.36) HRH3DYRK1AS1PR3RORC
SCHEMBL12995282 0.86 S1PR3 (0.33) HRH3DYRK1AS1PR3RAF1BRAF
SCHEMBL12995293 0.86 DYRK1A (0.34) HRH3DYRK1AS1PR3RORCNPY1R
SCHEMBL12995298 0.86 S1PR3 (0.35) HRH3DYRK1AS1PR3RORCNPY1R
SCHEMBL12995260 0.86 HRH3 (0.38) HRH3DYRK1AS1PR3BRD4
SCHEMBL12995326 0.86 S1PR3 (0.37) HRH3DYRK1AS1PR3RORCNPY1R

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 3336/4885DYRK1A 4875/4885S1PR3 1968/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS HRH3 3336/4885DYRK1A 4875/4885S1PR3 1968/4885

“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.