SCHEMBL64436

SCHEMBL64436

Cc1ccc(S(=O)(=O)CCO[C]=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP2C19 P33261 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
KMT2A Q03164 6/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.42
PAX8 Q06710 1/20 0.42
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28166558 0.97 ALDH1A1 (0.59) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL2587720 0.86 ALDH1A1 (0.44) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL564467 0.83 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL29255431 0.83 ALDH1A1 (0.46) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL619004 0.82 LMNA (0.41) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL9528672 0.81 ALDH1A1 (0.52) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL28051 0.81 PSIP1 (0.47) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL17997014 0.79 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL28932041 0.79 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL28865930 0.79 ALDH1A1 (0.38) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A

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 1597 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3053944-B1 METHOD FOR PRODUCING POLYALKYLENE GLYCOL DERIVATIVE HAVING AMINO GROUP AT END, POLYMERIZATION INITIATOR FOR USE IN THE SAME, AND ALCOHOL COMPOUND AS RAW MATERIAL FOR THE POLYMERIZATION INITIATOR SHINETSU CHEMICAL CO (JP) 2021-10-06 EP claimed
WO-2016205798-A1 SELECTIVE ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-22 WO claimed
WO-2016154120-A1 POLYPEPTIDES, PEPTIDES, AND PROTEINS FUNCTIONALIZED BY ALKYLATION OF THIOETHER GROUPS VIA RING-OPENING REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-29 WO claimed
CN-101679411-B MAPK/ERK kinase inhibitors TAKEDA PHARMACEUTICAL 2013-04-17 CN claimed
EP-2098508-B1 Processes for preparing cyclic derivatives which are modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP claimed
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 WO claimed
US-20060287306-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-21 US claimed
US-20060276642-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-12-07 US claimed
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2006-09-21 US claimed
EP-1666452-A2 Compounds to treat Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-06-07 EP claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed
EP-1011665-A4 HETEROCYCLIC AGENTS LILLY CO ELI (US) 2001-09-12 EP claimed
EP-1011665-A1 HETEROCYCLIC AGENTS ELI LILLY AND COMPANY (US) 2000-06-28 EP claimed
WO-1998040068-A1 HETEROCYCLIC AGENTS ELI LILLY AND COMPANY (US) 1998-09-17 WO claimed
US-5530124-A Method for preparing cyclic ureas and their use for the synthesis of HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-06-25 US claimed
US-4826993-A Substituted diazolidinones ELI LILLY AND COMPANY (US) 1989-05-02 US claimed
US-4778790-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1988-10-18 US claimed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
EP-0002680-A2 4-Spectinomycylamin and its physiologically acceptable salts, method of preparation and pharmaceutical products containing these substances Dr. Karl Thomae GmbH (DE) 1979-07-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060276642-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, BCHE ALDH1A1 311/4885CYP2C19 292/4885CYP3A4 656/4885
US-20060287306-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ALDH1A1 790/4885CYP2C19 262/4885CYP3A4 457/4885
US-20060211860-A1 Compounds for the treatment of Alzheimer's disease PSEN2, PSEN1, CHAT ALDH1A1 543/4885CYP2C19 1204/4885CYP3A4 1156/4885

“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.