SCHEMBL4528717

SCHEMBL4528717

CC(C)S(=O)(=O)O.CCCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A6 P31641 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
TP53 P04637 1/20 0.37
APP P05067 1/20 0.35
ENPEP Q07075 4/20 0.32
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
GRIA1 P42261 3/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL576043 0.86 PTGS1 (0.39) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5268 0.86
SCHEMBL28849565 0.86 LMNA (0.47) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL9551494 0.84 PTGS1 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
Ethane SCHEMBL25228294 0.83
SCHEMBL20533802 0.83
SCHEMBL20533540 0.83
SCHEMBL20533646 0.83
SCHEMBL22581628 0.83
SCHEMBL7583398 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3781657-A1 USE OF HYPOPHOSPHOROUS ACID FOR THE ESTERIFICATION OF FREE FATTY ACIDS ARKEMA FRANCE (FR) 2021-02-24 EP disclosed
WO-2019202276-A1 USE OF HYPOPHOSPHOROUS ACID FOR THE ESTERIFICATION OF FREE FATTY ACIDS ARKEMA FRANCE (FR) 2019-10-24 WO disclosed
EP-1991201-B1 NEBULISED ANTIBIOTICS FOR INHALATION THERAPY PARI PHARMA GMBH (DE) 2018-03-28 EP disclosed
US-20090025713-A1 Nebulised Antibiotics for Inhalation Therapy PARI PHARMA GMBH (DE) 2009-01-29 US disclosed
EP-1991201-A1 NEBULISED ANTIBIOTICS FOR INHALATION THERAPY PARI Pharma GmbH (DE) 2008-11-19 EP disclosed
WO-2007090646-A1 NEBULISED ANTIBIOTICS FOR INHALATION THERAPY PARI PHARMA GMBH (DE) 2007-08-16 WO disclosed
WO-2004024140-A1 EFFLUX PUMP INHIBITORS ESSENTIAL THERAPEUTICS, INC. (US) 2004-03-25 WO disclosed
US-6689782-B2 3-PIPERAZINYL-2-DIARYLUREA-QUINAZOLINONE DERIVATIVES; POTENTIATORS OF ANTIFUNGAL AGENTS ESSENTIAL THERAPEUTICS, INC. 2004-02-10 US disclosed
US-20030229097-A1 Fungal efflux pump inhibitors ESSENTIAL THERAPEUTICALS, INC. 2003-12-11 US disclosed
US-20030220338-A1 Fungal efflux pump inhibitors ESSENTIAL THERAPEUTICS, INC. 2003-11-27 US disclosed
US-6596723-B1 Compounds that are efflux pump inhibitors and therefore are useful as potentiators of anti-fungal agents for the treatment of infections caused by fungi that employ an efflux pump resistance mechanism. ESSENTIAL THERAPEUTICS, INC. 2003-07-22 US disclosed
US-6551591-B1 New antibiotics derived from the cultures of Microbispora corallina and the physicochemical characteristics of those compounds; has units of dehydrobutyrine, dehydroalanine, aminovinylcysteine and tryptophan ESSENTIAL THERAPEUTICS, INC. 2003-04-22 US disclosed
US-4038225-A ALKYD RESIN, MELAMINE RESIN, ORGANOSULFONIC ACID, SOLVENT KANSAI PAINT COMPANY, LTD. (JA) 1977-07-26 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-20030220338-A1 Fungal efflux pump inhibitors ABCB11, ABCB1, ABCC1 PTGS1 1555/4885PDE4A 2430/4885LMNA 4359/4885
US-20030229097-A1 Fungal efflux pump inhibitors ABCB11, ABCB1, ABCC1 PTGS1 1555/4885PDE4A 2430/4885LMNA 4359/4885

“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.