SCHEMBL13316976

SCHEMBL13316976

CSC(=O)[C@H](c1ccccc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.38
SRC P12931 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TACR1 P25103 2/20 0.36
CES1 P23141 2/20 0.35
CES2 O00748 1/20 0.35

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
Methyl Alcohol SCHEMBL5139174 0.79 SRC (0.46) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL8671904 0.79 ATM (0.44) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL12458246 0.79 ATM (0.44) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL28044484 0.78 CYP2D6 (0.44) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL7955519 0.78 SRC (0.50) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL4026079 0.78 SRC (0.50) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL195532 0.78 SRC (0.50) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL29773675 0.76 SRC (0.48) ATML3MBTL1CYP2D6SRCLMNA
SCHEMBL6971672 0.76 CYP2D6 (0.43) ATML3MBTL1CYP2D6SRCLMNA
Hydrochloric Acid SCHEMBL2529822 0.76 SRC (0.48) ATML3MBTL1CYP2D6SRCLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741513-B2 Thioacids and thioacid salts for determining the enantiomeric excess of chiral compounds containing an electrophilic carbon center RICHMAN JACK E 2010-06-22 US disclosed
US-20090181462-A1 Thioacids and thioacid salts for determining the enantiomeric excess of chiral compounds containing an electrophilic carbon center RICHMAN JACK E 2009-07-16 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-20090181462-A1 Thioacids and thioacid salts for determining the enantiomeric excess of chiral compounds containing an electrophilic carbon center TST, SLC6A6, MPST ATM 4311/4885L3MBTL1 1857/4885CYP2D6 498/4885

“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.