SCHEMBL12995606

SCHEMBL12995606

CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCOCC4)cc3n2C2CC2)cc1)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.35
HRH3 Q9Y5N1 5/20 0.35
TBK1 Q9UHD2 5/20 0.34
JAK2 O60674 2/20 0.34
CYP11B2 P19099 1/20 0.33
DYRK1A Q13627 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PRSS3 P35030 1/20 0.33
GRM2 Q14416 1/20 0.32
ACACB O00763 1/20 0.32
HPGD P15428 1/20 0.32
RORC P51449 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
SCHEMBL12995703 1.00 S1PR3 (0.35) S1PR3HRH3TBK1JAK2CYP11B2
SCHEMBL13198866 0.97 S1PR3 (0.35) S1PR3HRH3TBK1JAK2CYP11B2
SCHEMBL12994593 0.97 HRH3 (0.36) S1PR3HRH3TBK1JAK2DYRK1A
SCHEMBL12995115 0.97 HRH3 (0.36) S1PR3HRH3TBK1JAK2DYRK1A
SCHEMBL13198938 0.95 HRH3 (0.36) S1PR3HRH3TBK1JAK2DYRK1A
SCHEMBL12105906 0.95 S1PR3 (0.36) S1PR3DYRK1AF10PRSS1PRSS2
SCHEMBL12105902 0.95 S1PR3 (0.36) S1PR3DYRK1AF10PRSS1PRSS2
SCHEMBL10096704 0.95 S1PR3 (0.36) S1PR3DYRK1AF10PRSS1PRSS2
SCHEMBL13198217 0.95 HRH3 (0.36) S1PR3HRH3TBK1JAK2CYP11B2
SCHEMBL10096706 0.93 S1PR3 (0.36) S1PR3HRH3DYRK1AF10PRSS1

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885HRH3 3336/4885TBK1 1215/4885

“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.