SCHEMBL4667996

SCHEMBL4667996

CCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1sc(C)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HSD11B1 P28845 1/20 0.32
GAA P10253 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
SCHEMBL4667997 1.00 MAPT (0.37) MAPTPOLBKDM4EHTTSMN1; SMN2
SCHEMBL5649767 0.86 GAA (0.32) MAPTSMN1; SMN2TDP1GAA
SCHEMBL5649761 0.86 GAA (0.32) MAPTSMN1; SMN2TDP1GAA
Hydrochloric Acid SCHEMBL4664997 0.85 GAA (0.32) SMN1; SMN2TDP1GAA
Hydrochloric Acid SCHEMBL4664994 0.85 GAA (0.32) SMN1; SMN2TDP1GAA
SCHEMBL5651164 0.73 SLC6A4 (0.41) POLBHSD11B1
SCHEMBL5651161 0.73 SLC6A4 (0.41) POLBHSD11B1
SCHEMBL5130834 0.72 MAPT (0.38) MAPTPOLBKDM4EHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4773407 0.72 SLC6A4 (0.40) POLBHSD11B1
Hydrochloric Acid SCHEMBL4773400 0.72 SLC6A4 (0.40) POLBHSD11B1

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 6 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
EP-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 EP disclosed
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 MAPT 112/4885POLB 1335/4885KDM4E 1444/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 MAPT 91/4885POLB 1564/4885KDM4E 1138/4885

“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.