SCHEMBL2883346

SCHEMBL2883346

CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC4CCCO4)cc3n2C2CC2)cc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.36
PFKFB2 O60825 2/20 0.32
PFKFB1 P16118 2/20 0.32
PFKFB3 Q16875 2/20 0.32
CYP11B2 P19099 1/20 0.31
HPGD P15428 2/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
IMPDH2 P12268 1/20 0.30
NSD2 O96028 1/20 0.30
DOT1L Q8TEK3 1/20 0.30
AS3MT Q9HBK9 1/20 0.30

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
SCHEMBL12105909 0.88 RAB9A (0.43) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL12995606 0.88 S1PR3 (0.35) S1PR3CYP11B2HPGD
SCHEMBL12995703 0.88 S1PR3 (0.35) S1PR3CYP11B2HPGD
SCHEMBL12105902 0.87 S1PR3 (0.36) S1PR3
SCHEMBL12105906 0.87 S1PR3 (0.36) S1PR3
SCHEMBL12995115 0.87 HRH3 (0.36) S1PR3
SCHEMBL12994593 0.87 HRH3 (0.36) S1PR3
SCHEMBL10096704 0.87 S1PR3 (0.36) S1PR3
SCHEMBL10096561 0.86 RAB9A (0.42) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL12105871 0.86 RAB9A (0.42) HPGDSMN1; SMN2LMNANPC1RAB9A

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 12 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-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-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP 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
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 1968/4885PFKFB2 4493/4885PFKFB1 4524/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885PFKFB2 4493/4885PFKFB1 4524/4885

“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.