SCHEMBL2883009

SCHEMBL2883009

CS(=O)(=O)COc1ccc2c(C#N)c(-c3ccc(N)cc3)n(C3CCC3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP11B2 P19099 2/20 0.33
HRH3 Q9Y5N1 3/20 0.32
HTR6 P50406 1/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PABPC1 P11940 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
PRKCZ Q05513 1/20 0.31

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
SCHEMBL982506 0.88 TSHR (0.36) MEN1KMT2AALDH1A1KDM4ECYP11B2
SCHEMBL12995997 0.87 PIK3CA (0.36) CYP11B2PIK3CAMTOR
SCHEMBL12996001 0.87 SGK1 (0.35) CYP11B2PIK3CAMTOR
SCHEMBL2883598 0.86 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4ECYP11B2
SCHEMBL14467971 0.86 NSD2 (0.34) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL2881706 0.86 HRH3 (0.36) MEN1KMT2AALDH1A1KDM4ECYP11B2
SCHEMBL12995995 0.85 PGR (0.38) MEN1KMT2AALDH1A1CYP11B2LMNA
SCHEMBL2881700 0.85 ESR1 (0.36) MEN1KMT2AALDH1A1KDM4ECYP11B2
SCHEMBL12996000 0.85 MAPT (0.33) CYP11B2MAPTPIK3CAMTORPGR
SCHEMBL10096523 0.84 CYP11B2 (0.38) MEN1KMT2AALDH1A1KDM4ECYP11B2

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 7 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-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 MEN1 4800/4885KMT2A 4464/4885ALDH1A1 1497/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MEN1 4800/4885KMT2A 4464/4885ALDH1A1 1497/4885

“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.