SCHEMBL12995692

SCHEMBL12995692

C[C@@H](OC(=O)Nc1ccc(-c2c(C#N)c3ccc(O[C@H]4CCOC4)cc3n2C2CCC2)cc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.36
SOS1 Q07889 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
DDX3X O00571 1/20 0.34
FASN P49327 1/20 0.33
ACACB O00763 5/20 0.32
F2 P00734 3/20 0.32
F10 P00742 3/20 0.32
PRSS1 P07477 3/20 0.32
PRSS2 P07478 3/20 0.32
F7 P08709 3/20 0.32
F3 P13726 3/20 0.32
PRSS3 P35030 3/20 0.32
EGLN2 Q96KS0 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
DYRK1A Q13627 1/20 0.32
ACACA Q13085 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
SCHEMBL10096706 1.00 S1PR3 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL10096715 0.98 MAPK8 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL10096704 0.97 S1PR3 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL12105902 0.97 S1PR3 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL12105906 0.97 S1PR3 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL12995115 0.96 HRH3 (0.36) S1PR3ACACBHRH3DYRK1A
SCHEMBL12994593 0.96 HRH3 (0.36) S1PR3ACACBHRH3DYRK1A
SCHEMBL10096713 0.96 S1PR3 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL12995602 0.96 S1PR3 (0.36) S1PR3SOS1MAPK8MAPK9DDX3X
SCHEMBL13198938 0.94 HRH3 (0.36) S1PR3ACACBHRH3DYRK1A

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 1968/4885SOS1 4297/4885MAPK8 3686/4885

“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.