SCHEMBL11903384

SCHEMBL11903384

CC(C)C[C@@H]1NC[C@H](c2ccc(C(F)(F)F)cc2)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
ESR1 P03372 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
OXTR P30559 2/20 0.34
HTR2C P28335 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 1/20 0.33
CASR P41180 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRCP P42785 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL11902976 0.85 TDP1 (0.39) OXTRPRCP
SCHEMBL11902872 0.83 SLC6A3 (0.37) SLC6A2SLC6A4ALDH1A1PRCPSLC6A3
SCHEMBL11902758 0.82 PRCP (0.42) MEN1KMT2APRCP
SCHEMBL11902412 0.82 PRCP (0.42) MEN1KMT2APRCP
SCHEMBL11902399 0.76 TDP1 (0.37) ALDH1A1L3MBTL1PRCP
SCHEMBL11902304 0.75 ADORA2B (0.44) MEN1KMT2AALDH1A1PRCP
SCHEMBL11903264 0.73 ADORA2B (0.39) MEN1KMT2AALDH1A1PRCP
SCHEMBL11902673 0.73 ADORA2B (0.39) MEN1KMT2AALDH1A1PRCP
SCHEMBL11903053 0.71 PRCP (0.43) HTR2CALDH1A1PRCP
SCHEMBL11902742 0.70 ALDH1A1 (0.35) MEN1KMT2AALDH1A1PRCP

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-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 PARP1 1225/4885PARP2 1729/4885ESR1 1446/4885

“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.