Sugi Predict

Sugi Predict / Compounds / SCHEMBL4666345

SCHEMBL4666345

SCHEMBL4666345

CCCC(CCC)S(=O)(=O)CC(N)(C(N)=O)C(=O)c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ STS P08842 1/20 0.36
▸ CTSB P07858 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ HSD17B1 P14061 4/20 0.33
▸ HSD17B2 P37059 4/20 0.33
▸ HPGDS O60760 3/20 0.32
▸ ESR1 P03372 2/20 0.32
▸ ESR2 Q92731 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRB3 P13945 1/20 0.32
▸ POLB P06746 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
SCHEMBL4666355 1.00 PARP1 (0.39) PARP1KDM4EALDH1A1STSCTSB
SCHEMBL4666343 1.00 PARP1 (0.39) PARP1KDM4EALDH1A1STSCTSB
SCHEMBL5648984 0.88 TAS1R3 (0.44) PARP1ALDH1A1CA1CA2GAA
SCHEMBL5648980 0.88 TAS1R3 (0.44) PARP1ALDH1A1CA1CA2GAA
SCHEMBL4664988 0.87 KAT6A (0.37) CTSBBACE1CA2
SCHEMBL4664991 0.87 KAT6A (0.37) CTSBBACE1CA2
SCHEMBL5649888 0.87 PARP1 (0.40) PARP1ALDH1A1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL4666750 0.87 TAS1R3 (0.43) PARP1ALDH1A1CA1CA2GAA
Hydrochloric Acid SCHEMBL4666747 0.87 TAS1R3 (0.43) PARP1ALDH1A1CA1CA2GAA
Hydrochloric Acid SCHEMBL4667970 0.86 PARP1 (0.40) PARP1ALDH1A1ADRB2ADRB1ADRB3

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 PARP1 1008/4885KDM4E 1444/4885ALDH1A1 311/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 PARP1 1489/4885KDM4E 1138/4885ALDH1A1 597/4885

“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.