SCHEMBL5648980

SCHEMBL5648980

CCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
PARP1 P09874 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34

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
SCHEMBL5648984 1.00 TAS1R3 (0.44) TAS1R3TAS1R1PARP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4666747 0.99 TAS1R3 (0.43) TAS1R3TAS1R1PARP1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL4666750 0.99 TAS1R3 (0.43) TAS1R3TAS1R1PARP1SLC6A2SLC6A3
SCHEMBL4666343 0.88 PARP1 (0.39) PARP1CA1CA2ALDH1A1GAA
SCHEMBL4666355 0.88 PARP1 (0.39) PARP1CA1CA2ALDH1A1GAA
SCHEMBL4666345 0.88 PARP1 (0.39) PARP1CA1CA2ALDH1A1GAA
SCHEMBL4664991 0.87 KAT6A (0.37) CA2
SCHEMBL5649888 0.87 PARP1 (0.40) TAS1R3TAS1R1PARP1SLC6A2SLC6A3
SCHEMBL4664988 0.87 KAT6A (0.37) CA2
Hydrochloric Acid SCHEMBL4667970 0.86 PARP1 (0.40) PARP1SLC6A2SLC6A3CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US claimed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 US claimed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-7144897-B2 Hydroxy alkyl amines Elan Oharmaceuticals, Inc. (US) 2006-12-05 US disclosed
US-20030166717-A1 Hydroxy alkyl amines FRESKOS JOHN (US) 2003-09-04 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 (2 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-20030166717-A1 Hydroxy alkyl amines PSEN1, MAOA, PSEN2 TAS1R3 4174/4885TAS1R1 3556/4885PARP1 1008/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 TAS1R3 4486/4885TAS1R1 4378/4885PARP1 1489/4885

“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.