SCHEMBL5648261

SCHEMBL5648261

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
PLAU P00749 3/20 0.34
HPN P05981 3/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
DPP4 P27487 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
ALOX5 P09917 1/20 0.33
CTSB P07858 1/20 0.32
BACE1 P56817 1/20 0.32
MLYCD O95822 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL5648267 1.00 CA2 (0.36) CA2CA12CA9SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4664308 0.99 CA2 (0.35) CA2CA12CA9SLC6A3SLC6A4
SCHEMBL5651164 0.86 SLC6A4 (0.41) SLC6A4CTSBBACE1MLYCDPTPN1
SCHEMBL5651161 0.86 SLC6A4 (0.41) SLC6A4CTSBBACE1MLYCDPTPN1
SCHEMBL5648426 0.86 TAS1R3 (0.43) CA2SLC6A3SLC6A4SLC6A2HSD17B10
SCHEMBL5648423 0.86 TAS1R3 (0.43) CA2SLC6A3SLC6A4SLC6A2HSD17B10
Hydrochloric Acid SCHEMBL4664379 0.85 TAS1R3 (0.42) CA2SLC6A3SLC6A4SLC6A2HSD17B10
Hydrochloric Acid SCHEMBL4773400 0.85 SLC6A4 (0.40) SLC6A4CTSBBACE1MLYCDPTPN1
Hydrochloric Acid SCHEMBL4664377 0.85 TAS1R3 (0.42) CA2SLC6A3SLC6A4SLC6A2HSD17B10
Hydrochloric Acid SCHEMBL4773407 0.85 SLC6A4 (0.40) SLC6A4CTSBBACE1MLYCDPTPN1

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 CA2 4597/4885CA12 4276/4885CA9 3851/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 CA2 4612/4885CA12 4191/4885CA9 3773/4885

“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.