SCHEMBL3386752

SCHEMBL3386752

NCCOc1cccc(S(=O)(=O)CC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
NFE2L2 Q16236 1/20 0.37
AOC2 O75106 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KAT6A Q92794 1/20 0.36

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
SCHEMBL1710533 0.81 RAB9A (0.49)
SCHEMBL2205582 0.80 TLR4 (0.46) TLR4TLR2MAOAMAOBKAT6A
SCHEMBL13432911 0.77 HTR6 (0.42)
SCHEMBL2209064 0.76 TLR4 (0.53) TLR4TLR2TAAR1MAOAMAOB
SCHEMBL29818651 0.76 TLR4 (0.53) TLR4TLR2TAAR1MAOAMAOB
SCHEMBL2202599 0.76 TLR4 (0.53) TLR4TLR2TAAR1MAOAMAOB
SCHEMBL2207146 0.76 TLR4 (0.53) TLR4TLR2TAAR1MAOAMAOB
SCHEMBL29819321 0.76 TLR4 (0.53) TLR4TLR2TAAR1MAOAMAOB
SCHEMBL1725856 0.76 CA1 (0.51)
SCHEMBL3387845 0.75 HTR6 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 JAK2 3849/4885JAK1 2502/4885TYK2 4407/4885

“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.