SCHEMBL19736337

SCHEMBL19736337

CCC(=O)N[C@H](CO)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.42
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL17778916 1.00 CYP2C9 (0.42) CYP2C9PRSS1CTSGCTRB1CMA1
SCHEMBL12824834 0.81 CYP2C9 (0.43) CYP2C9PRSS1CTSGCTRB1CMA1
SCHEMBL17778511 0.79 CYP2C9 (0.38) CYP2C9PRSS1CTSGCTRB1CMA1
SCHEMBL17777050 0.78 CTRB1 (0.39) CYP2C9CTRB1
SCHEMBL7300741 0.78 CTRB1 (0.39) CYP2C9CTRB1
SCHEMBL17776992 0.78 CTRB1 (0.39) CYP2C9CTRB1
SCHEMBL4531764 0.76 OR51E2 (0.35)
SCHEMBL19882969 0.76 CYP2C9 (0.46) CYP2C9MEN1KMT2A
SCHEMBL19706645 0.75 MLYCD (0.33) MEN1KMT2A
SCHEMBL25590075 0.75 ASAH1 (0.36)

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP2C9 1341/4885PRSS1 2002/4885CTSG 1887/4885

“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.