Sugi Predict

Sugi Predict / Compounds / SCHEMBL4667956

SCHEMBL4667956

SCHEMBL4667956

CCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ F7 P08709 1/20 0.40
▸ F3 P13726 1/20 0.40
▸ SARM1 Q6SZW1 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ SIRT4 Q9Y6E7 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL4667960 1.00 LMNA (0.40) LMNACYP1A2F7F3SARM1
SCHEMBL5649832 0.82 HSD17B10 (0.31) —
SCHEMBL5649835 0.82 HSD17B10 (0.31) —
SCHEMBL5645589 0.82 HCAR2 (0.38) HCAR2
Hydrochloric Acid SCHEMBL4666790 0.81 HCAR2 (0.37) HCAR2
SCHEMBL5648980 0.81 TAS1R3 (0.44) TDP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4666343 0.81 PARP1 (0.39) ALDH1A1GAA
SCHEMBL4666345 0.81 PARP1 (0.39) ALDH1A1GAA
SCHEMBL5648984 0.81 TAS1R3 (0.44) TDP1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4666355 0.81 PARP1 (0.39) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LMNA 549/4885CYP1A2 161/4885F7 1310/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 LMNA 507/4885CYP1A2 207/4885F7 1293/4885

“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.