SCHEMBL18081968

SCHEMBL18081968

Cc1cc2cc(C)c(=S)nc-2[nH]c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.33
NPBWR1 P48145 1/20 0.33
MAPT P10636 1/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
PIN1 Q13526 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL16631924 0.89 NR1I3 (0.31) NR1I3NPBWR1
SCHEMBL18080511 0.85
SCHEMBL16631682 0.85 KMT2A (0.33) MAPT
SCHEMBL18081755 0.80 HPGD (0.36) NPBWR1MAPTTNKSTNKS2PARP2
SCHEMBL16631469 0.78 OPRK1 (0.30)
SCHEMBL18081727 0.78 PDE3B (0.30)
SCHEMBL16631448 0.78 NR1I3 (0.38) NR1I3NPBWR1MAPTTNKSTNKS2
SCHEMBL16631706 0.77 NR1I3 (0.36) NR1I3NPBWR1MAPTTNKSTNKS2
SCHEMBL18081782 0.77 MAPT (0.41) NR1I3MAPTPIN1HPGD
SCHEMBL18081834 0.76

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 NR1I3 4556/4885NPBWR1 904/4885MAPT 3290/4885

“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.