SCHEMBL1710504

SCHEMBL1710504

NCCCc1cccc(S(=O)(=O)CC2(O)CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.44
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AOC2 O75106 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL1725854 0.79 POLB (0.37) CYP3A4GAACYP2C19ALDH1A1
SCHEMBL1725084 0.78 GAA (0.38) CYP3A4GAACYP2C19ALDH1A1KMT2A
SCHEMBL610832 0.77 MAPK14 (0.40) HTR6DRD2DRD1TAAR1MAOA
SCHEMBL611370 0.77 MAPK14 (0.40) HTR6DRD2DRD1TAAR1MAOA
SCHEMBL611797 0.77 MAPK14 (0.40) HTR6DRD2DRD1TAAR1MAOA
SCHEMBL3385727 0.76 HSD11B1 (0.38) CYP3A4GAACYP2C19ALDH1A1KMT2A
SCHEMBL1710600 0.76 ATM (0.40) GAAALDH1A1KMT2AL3MBTL1
SCHEMBL1724446 0.76 ALDH1A1 (0.32) ALDH1A1KMT2AL3MBTL1AOC2
SCHEMBL18097918 0.76 OPRM1 (0.43) HTR6CYP2C19DRD2DRD1TAAR1
SCHEMBL611371 0.76 MAPK14 (0.41) HTR6CYP2C19DRD2DRD1TAAR1

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 1538/4885CYP3A4 4354/4885GAA 456/4885

“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.