SCHEMBL4664416

SCHEMBL4664416

C[C@@](N)(C(N)=O)C(=O)OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
Hydrochloric Acid SCHEMBL4665141 0.98 HTT (0.41) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL23353270 0.78 HTT (0.43) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL2485258 0.77 ALOX15 (0.48) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL19857462 0.76 HTT (0.50) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL23005578 0.76 HTT (0.50) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL2692345 0.76 HTT (0.50) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL24909690 0.72 HTT (0.52) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL5362241 0.72 HTT (0.46) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL5355110 0.72 HTT (0.46) HTTHSD17B10MEN1ALDH1A1TSHR
SCHEMBL28024337 0.72 HTT (0.46) HTTHSD17B10MEN1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US claimed
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 HTT 24/4885HSD17B10 135/4885MEN1 1651/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 HTT 18/4885HSD17B10 150/4885MEN1 2126/4885

“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.