SCHEMBL5651161

SCHEMBL5651161

CCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.41
MLYCD O95822 1/20 0.37
LMNA P02545 1/20 0.37
CTSB P07858 1/20 0.36
BACE1 P56817 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
CYP3A4 P08684 3/20 0.35
POLB P06746 1/20 0.35
GSK3B P49841 2/20 0.35
PTPN1 P18031 1/20 0.35
HSD11B1 P28845 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
EPHX1 P07099 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 1/20 0.34
MAOB P27338 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
SCHEMBL5651164 1.00 SLC6A4 (0.41) SLC6A4MLYCDLMNACTSBBACE1
Hydrochloric Acid SCHEMBL4773400 0.99 SLC6A4 (0.40) SLC6A4MLYCDLMNACTSBBACE1
Hydrochloric Acid SCHEMBL4773407 0.99 SLC6A4 (0.40) SLC6A4MLYCDLMNACTSBBACE1
SCHEMBL5648267 0.86 CA2 (0.36) SLC6A4MLYCDLMNACTSBBACE1
SCHEMBL5648261 0.86 CA2 (0.36) SLC6A4MLYCDLMNACTSBBACE1
Hydrochloric Acid SCHEMBL4664308 0.85 CA2 (0.35) SLC6A4MLYCDLMNACTSBBACE1
SCHEMBL5648423 0.83 TAS1R3 (0.43) SLC6A4LMNACES2CES1POLB
SCHEMBL5648426 0.83 TAS1R3 (0.43) SLC6A4LMNACES2CES1POLB
Hydrochloric Acid SCHEMBL4664377 0.82 TAS1R3 (0.42) SLC6A4LMNACES2CES1POLB
Hydrochloric Acid SCHEMBL4664379 0.82 TAS1R3 (0.42) SLC6A4LMNACES2CES1POLB

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 SLC6A4 690/4885MLYCD 1872/4885LMNA 549/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 SLC6A4 505/4885MLYCD 1727/4885LMNA 507/4885

“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.