SCHEMBL12995683

SCHEMBL12995683

CCOc1ccc2c(Br)c(-c3ccc(NC(=O)O[C@H](C)C4CC4)cc3)n(CC3CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.37
THRB P10828 2/20 0.37
CNR2 P34972 4/20 0.35
ICMT O60725 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TTK P33981 1/20 0.34
MAPK8 P45983 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2886247 0.95 TP53 (0.42) TP53MAPTTHRBCNR2ICMT
SCHEMBL12995627 0.91 TP53 (0.41) TP53MAPTTHRBCNR2ICMT
SCHEMBL12995832 0.90 TP53 (0.41) TP53MAPTTHRBCNR2ICMT
SCHEMBL12995681 0.87 ALDH1A1 (0.42) TP53MAPTTHRBCNR2ICMT
SCHEMBL13051901 0.86 TP53 (0.43) TP53MAPTTHRBCNR2ICMT
SCHEMBL14468020 0.85 TP53 (0.44) TP53MAPTTHRBCNR2ICMT
SCHEMBL12995593 0.85 TP53 (0.42) TP53MAPTTHRBCNR2ICMT
SCHEMBL13151854 0.85 TP53 (0.42) TP53MAPTTHRBCNR2ICMT
SCHEMBL12995222 0.85 MEN1 (0.38) TP53MAPTRAB9APOLBSMN1; SMN2
SCHEMBL14467838 0.84 TP53 (0.42) TP53MAPTTHRBCNR2ICMT

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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 (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 TP53 1262/4885MAPT 4477/4885THRB 2087/4885

“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.