SCHEMBL6444089

SCHEMBL6444089

CC(C)(C)S(=O)(=O)CC(C=O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
SLC6A2 P23975 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
CYP1A2 P05177 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
SCHEMBL6445022 1.00 TAAR1 (0.40) TAAR1MEN1KMT2AEPHX1ALDH1A1
SCHEMBL7273938 0.86 MAPT (0.40) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL27346464 0.80 TAAR1 (0.42) TAAR1MEN1KMT2AEPHX1ALDH1A1
SCHEMBL10446887 0.78 TAAR1 (0.42) TAAR1MEN1KMT2AALDH1A1TSHR
SCHEMBL8507131 0.77 CTNNB1 (0.40) SIGMAR1CYP1A2
SCHEMBL6445119 0.77 TAAR1 (0.37) TAAR1EPHX1ALDH1A1TSHRMAPT
SCHEMBL6445116 0.77 TAAR1 (0.37) TAAR1EPHX1ALDH1A1TSHRMAPT
SCHEMBL7266299 0.76 EPHX1 (0.54) TAAR1MEN1KMT2AEPHX1SLC6A2
SCHEMBL6445019 0.74 ALDH1A1 (0.38) TAAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL7163321 0.74 CYP1A2 (0.59) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453488-A React amine protecting amino acid with amine, deprotect amide formed, couple with acid, deprotect dipeptidyl amide formed WARNER-LAMBERT COMPANY (US) 1995-09-26 US claimed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US claimed
US-5238923-A Treating hypertension, hyperaldosteronism, congestive heart failure WARNER-LAMBERT COMPANY (US) 1993-08-24 US claimed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO 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
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 TAAR1 3062/4885MEN1 2134/4885KMT2A 3442/4885

“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.