SCHEMBL1722752

SCHEMBL1722752

COCCCCCS(=O)(=O)c1cccc(CCCN)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.46
MGLL Q99685 2/20 0.38
TAAR1 Q96RJ0 1/20 0.37
MAPK1 P28482 1/20 0.37
PNMT P11086 1/20 0.37
GHSR Q92847 1/20 0.36
LOX P28300 1/20 0.36
F2 P00734 2/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL1710439 0.88 KAT6A (0.41) HTR6MGLLMAPK1PNMTNR1H2
SCHEMBL1722660 0.82 HTR6 (0.49) HTR6MGLLGHSR
SCHEMBL1722388 0.82 HTR6 (0.50) HTR6MGLL
SCHEMBL1710742 0.82 HTR6 (0.51) HTR6GHSR
SCHEMBL610114 0.81 TAAR1 (0.46) TAAR1
SCHEMBL3121608 0.80 HTR6 (0.54) HTR6MGLLGHSRF2
Hydrochloric Acid SCHEMBL613036 0.80 TAAR1 (0.45) TAAR1
SCHEMBL611421 0.80 TAAR1 (0.47) HTR6TAAR1
SCHEMBL611863 0.78 TAAR1 (0.49) HTR6TAAR1
SCHEMBL1710640 0.77 HTR6 (0.59) HTR6LOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 WO disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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 (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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 HTR6 1538/4885MGLL 3065/4885TAAR1 3559/4885

“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.