Sugi Predict

Sugi Predict / Compounds / SCHEMBL6445019

SCHEMBL6445019

SCHEMBL6445019

CC(C)(C)S(=O)(=O)C[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TAAR1 Q96RJ0 4/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSK P43235 1/20 0.34

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
SCHEMBL6444086 1.00 ALDH1A1 (0.38) ALDH1A1MAPTPTGES2POLBTAAR1
SCHEMBL7277160 0.82 LDHA (0.43) POLBSLC6A4KMT2ACYP1A2MMP2
SCHEMBL10446887 0.78 TAAR1 (0.42) ALDH1A1MAPTPTGES2TAAR1SLC6A2
SCHEMBL6445116 0.77 TAAR1 (0.37) ALDH1A1MAPTPTGES2TAAR1SLC6A2
SCHEMBL6445119 0.77 TAAR1 (0.37) ALDH1A1MAPTPTGES2TAAR1SLC6A2
SCHEMBL1697450 0.76 CYP1A2 (0.48) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL7267060 0.76 MME (0.43) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL27758693 0.74 CYP1A2 (0.46) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL7163321 0.74 CYP1A2 (0.59) CYP1A2
SCHEMBL6445022 0.74 TAAR1 (0.40) ALDH1A1MAPTPTGES2TAAR1SLC6A2

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-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 — — EP claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 — — US disclosed
EP-0611774-B1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound HOFFMANN LA ROCHE (CH) 1999-05-26 — — EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 — — US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 — — EP disclosed
EP-0611774-A1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 — — EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 — — EP 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ALDH1A1 889/4885MAPT 56/4885PTGES2 2078/4885

“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.