SCHEMBL3716580

SCHEMBL3716580

CCCC(C)CCCCC(O)=S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 2/20 0.33
BLM P54132 1/20 0.32
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCI P41743 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCZ Q05513 1/20 0.31

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
SCHEMBL17024432 0.84 TSHR (0.46) ACE2TSHRMAPTCHRM1AKR1A1
SCHEMBL18920279 0.81 ACE2 (0.55) ACE2TSHRALDH1A1LMNAMAPT
SCHEMBL7758037 0.81 ACE2 (0.55) ACE2TSHRALDH1A1LMNAMAPT
SCHEMBL26383297 0.79 ACE2 (0.40) ACE2TSHRALDH1A1LMNAFFAR4
SCHEMBL3629224 0.78 ALDH1A1 (0.60) ACE2TSHRALDH1A1MAPTFFAR4
SCHEMBL10452861 0.78 ALDH1A1 (0.37) ALDH1A1MAPTFFAR4FFAR1CES2
SCHEMBL19346277 0.78 TSHR (0.37) ACE2TSHRALDH1A1LMNAMAPT
SCHEMBL10917263 0.77 ALDH1A1 (0.36) ALDH1A1FFAR4FFAR1CES2CES1
SCHEMBL3717342 0.77 LMNA (0.45) TSHRALDH1A1LMNAFFAR4FFAR1
SCHEMBL1457100 0.77 ALDH1A1 (0.63) ACE2TSHRALDH1A1MAPTFFAR4

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
US-20160354342-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR. SHAHID MUSLIM D (US) 2016-12-08 US claimed
US-9457011-B2 Compositions and methods for the treatment of acid-related gastrointestinal disorders containing a dithiolane compound and a gastric acid secretion inhibitor SHAHID MUSLIM D (US) 2016-10-04 US claimed
US-20150238463-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR SHAHID MUSLIM D (US) 2015-08-27 US claimed
US-11426381-B2 Lipoic acid choline ester compositions and methods of use NOVARTIS AG (CH) 2022-08-30 US disclosed
US-11273145-B2 Compositions and methods for the treatment of acid-related gastrointestinal disorders containing a dithiolane compound and a gastric acid secretion inhibitor SHAHID MUSLIM D (US) 2022-03-15 US disclosed
US-20200281891-A1 LIPOIC ACID CHOLINE ESTER COMPOSITIONS AND METHODS OF USE ENCORE VISION, INC. 2020-09-10 US disclosed
EP-3113613-A1 LIPOIC ACID CHOLINE ESTER COMPOSITIONS AND METHODS OF USE ENCORE VISION, INC. (US) 2017-01-11 EP disclosed
US-20160354340-A1 LIPOIC ACID CHOLINE ESTER COMPOSITIONS AND METHODS OF USE NOVARTIS AG (CH) 2016-12-08 US disclosed
US-20160354342-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR. SHAHID MUSLIM D (US) 2016-12-08 US disclosed
US-9457011-B2 Compositions and methods for the treatment of acid-related gastrointestinal disorders containing a dithiolane compound and a gastric acid secretion inhibitor SHAHID MUSLIM D (US) 2016-10-04 US disclosed
WO-2015134510-A1 LIPOIC ACID CHOLINE ESTER COMPOSITIONS AND METHODS OF USE ENCORE VISION INC. (US) 2015-09-11 WO disclosed
US-20150238463-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR SHAHID MUSLIM D (US) 2015-08-27 US disclosed
WO-2010110771-A2 SUBSTITUTED THIOL-CONTAINING ALKYL FATTY ACIDS AND PROCESS FOR SYNTHESIZING DERIVATIVES THEREOF GIBSON FRANK (US) 2010-09-30 WO 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 (6 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-11273145-B2 Compositions and methods for the treatment of acid-related gastrointestinal disorders containing a dithiolane compound and a gastric acid secretion inhibitor ALAD, FABP6, ALOX15B ACE2 1648/4885TSHR 1529/4885ALDH1A1 848/4885
US-20160354340-A1 LIPOIC ACID CHOLINE ESTER COMPOSITIONS AND METHODS OF USE LIPA, LIPC, PCYT1A ACE2 4100/4885TSHR 3450/4885ALDH1A1 1082/4885
US-20150238463-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR FABP6, ALAD, SLC10A2 ACE2 1482/4885TSHR 1544/4885ALDH1A1 906/4885
US-20160354342-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR. ALAD, ALOX15B, FABP6 ACE2 1894/4885TSHR 1716/4885ALDH1A1 692/4885
US-11426381-B2 Lipoic acid choline ester compositions and methods of use LIPA, LIPC, PCYT1A ACE2 4100/4885TSHR 3450/4885ALDH1A1 1082/4885
US-20200281891-A1 LIPOIC ACID CHOLINE ESTER COMPOSITIONS AND METHODS OF USE LIPA, LIPC, PCYT1A ACE2 4100/4885TSHR 3450/4885ALDH1A1 1082/4885

“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.