SCHEMBL17024432

SCHEMBL17024432

CCCC(C)CCC(O)=S

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACE2 Q9BYF1 1/20 0.33

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
SCHEMBL3716580 0.84 ACE2 (0.42) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL7758037 0.82 ACE2 (0.55) TSHRMAPTACE2
SCHEMBL18920279 0.82 ACE2 (0.55) TSHRMAPTACE2
SCHEMBL467228 0.78 TSHR (0.44) TSHRMAPT
SCHEMBL9818162 0.77
SCHEMBL3768394 0.76 LMNA (0.56) MAPTACE2
SCHEMBL301262 0.75 MAPT (0.55) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL15216700 0.75 TSHR (0.46) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL1198338 0.75 MAPT (0.55) TSHRMAPTCHRM1AKR1A1CHRM3
SCHEMBL3120866 0.75 MAPT (0.55) TSHRMAPTCHRM1AKR1A1CHRM3

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 7 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-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-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
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

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-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 TSHR 1529/4885MAPT 3090/4885CHRM1 4373/4885
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 TSHR 1544/4885MAPT 3475/4885CHRM1 4274/4885
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 TSHR 1716/4885MAPT 3035/4885CHRM1 4409/4885

“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.