SCHEMBL2879064

SCHEMBL2879064

CCOc1ccc2ccn(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.42
BRD4 O60885 1/20 0.41
SRC P12931 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NR1H2 P55055 1/20 0.39
ABL1 P00519 2/20 0.39
PIK3CD O00329 1/20 0.39
EGFR P00533 1/20 0.39
HCK P08631 1/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
EPHB4 P54760 1/20 0.39
PRKDC P78527 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL24696073 0.88 MCL1 (0.42) MCL1SRCNR1H2ABL1PIK3CD
SCHEMBL982760 0.85 TFPI2 (0.49) MCL1BRD4NR1H2ALDH1A1KDM4E
SCHEMBL3898829 0.84 SRD5A2 (0.47) MCL1MEN1KMT2AMAOB
SCHEMBL29821188 0.84 SRD5A2 (0.47) MCL1MEN1KMT2AMAOB
SCHEMBL29830599 0.83 ELANE (0.47) MCL1SRCNR1H2ABL1PIK3CD
SCHEMBL1371853 0.83 ELANE (0.47) MCL1SRCNR1H2ABL1PIK3CD
SCHEMBL982341 0.82 KCNQ3 (0.44) MCL1BRD4SRCABL1PIK3CD
SCHEMBL30686927 0.82 ABL1 (0.39) MCL1SRCNR1H2ABL1PIK3CD
SCHEMBL23620195 0.82 ABL1 (0.39) MCL1SRCNR1H2ABL1PIK3CD
SCHEMBL23620194 0.80 PIK3CD (0.38) MCL1SRCNR1H2ABL1PIK3CD

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 9 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-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 MCL1 695/4885BRD4 1478/4885SRC 1803/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MCL1 695/4885BRD4 1478/4885SRC 1803/4885

“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.