SCHEMBL2886366

SCHEMBL2886366

CCOc1ccc2c(F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(CC3CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
RAB9A P51151 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
RIPK3 Q9Y572 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
S1PR3 Q99500 1/20 0.36
CNR2 P34972 2/20 0.36
ICMT O60725 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL12995832 0.95 TP53 (0.41) TP53RAB9ACYP2C9CYP2C19MAPT
SCHEMBL13051901 0.91 TP53 (0.43) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL13151854 0.90 TP53 (0.42) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL14468020 0.90 TP53 (0.44) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL12995593 0.90 TP53 (0.42) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL14467838 0.90 TP53 (0.42) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL2886247 0.90 TP53 (0.42) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL2884005 0.90 TP53 (0.43) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL13052005 0.89 TP53 (0.41) TP53RAB9ACYP2C9CYP2C19NPC1
SCHEMBL12995603 0.89 ALDH1A1 (0.42) TP53RAB9ANPC1HPGDSMN1; SMN2

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 10 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
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

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 TP53 1262/4885RAB9A 2829/4885CYP2C9 3639/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TP53 1262/4885RAB9A 2829/4885CYP2C9 3639/4885

“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.