SCHEMBL2886247

SCHEMBL2886247

CCOc1ccc2c(Br)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 3/20 0.42
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 2/20 0.38
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
POLB P06746 1/20 0.36
SRC P12931 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL12995683 0.95 TP53 (0.41) TP53RAB9ASMN1; SMN2MAPTTHRB
SCHEMBL13051901 0.91 TP53 (0.43) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL12995593 0.90 TP53 (0.42) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL13151854 0.90 TP53 (0.42) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL14468020 0.90 TP53 (0.44) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL14467838 0.90 TP53 (0.42) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL2886366 0.90 TP53 (0.42) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL2884005 0.90 TP53 (0.43) TP53RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL12995681 0.89 ALDH1A1 (0.42) TP53RAB9ANPC1HPGDMAPT
SCHEMBL13052005 0.89 TP53 (0.41) TP53RAB9ASMN1; SMN2NPC1CYP1A2

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 2829/4885SMN1; SMN2 3609/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS TP53 1262/4885RAB9A 2829/4885SMN1; SMN2 3609/4885

“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.