SCHEMBL9252966

SCHEMBL9252966

CC1(CCc2ccccc2S(=O)(=O)Cl)CC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTSB P07858 1/20 0.32
CYP19A1 P11511 1/20 0.30
PDK2 Q15119 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
SCHEMBL9251968 0.74 TSHR (0.50) TSHRNPSR1
SCHEMBL1073769 0.69 CTSB (0.52) NPSR1CTSB
SCHEMBL29800774 0.69 CTSB (0.52) NPSR1CTSB
SCHEMBL4446851 0.68 CTSB (0.40) CTSB
SCHEMBL11254980 0.66 ALDH1A1 (0.38) TSHRCTSB
SCHEMBL8557614 0.66 PTGES2 (0.37) CTSB
SCHEMBL998791 0.66 LIPG (0.41) CTSB
SCHEMBL28416490 0.65 CTSB (0.47) CTSB
SCHEMBL9475157 0.65 TDP1 (0.37) CTSB
SCHEMBL3431364 0.64 CTSB (0.33) CTSB

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-5391740-A Monitoring therapeutic drug concentration in serum and plasma ABBOTT LABORATORIES (US) 1995-02-21 US disclosed
US-4952691-A FOR BODY FLUIDS ABBOTT LABORATORIES (US) 1990-08-28 US disclosed
US-4585862-A MEDICAL DIAGNOSIS ABBOTT LABORATORIES (US) 1986-04-29 US disclosed