SCHEMBL3390215

SCHEMBL3390215

NC/C=C/c1cccc(S(=O)(=O)CC2(O)CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.36
MAOB P27338 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.31
HDAC3 O15379 2/20 0.30
HDAC4 P56524 2/20 0.30
HDAC1 Q13547 2/20 0.30
HDAC7 Q8WUI4 2/20 0.30
HDAC2 Q92769 2/20 0.30
HDAC10 Q969S8 2/20 0.30
HDAC11 Q96DB2 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC9 Q9UKV0 2/20 0.30
HDAC5 Q9UQL6 2/20 0.30

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
SCHEMBL3390221 1.00 AOC2 (0.36) AOC2MAOBALDH1A1KMT2AL3MBTL1
SCHEMBL1726144 0.80 RORC (0.35) KMT2ARORCHDAC3HDAC4HDAC1
SCHEMBL1726145 0.80 RORC (0.35) KMT2ARORCHDAC3HDAC4HDAC1
SCHEMBL3386668 0.76 ALDH1A1 (0.37) AOC2MAOBALDH1A1KMT2A
SCHEMBL3386672 0.76 ALDH1A1 (0.37) AOC2MAOBALDH1A1KMT2A
SCHEMBL1710600 0.75 ATM (0.40) ALDH1A1KMT2AL3MBTL1
SCHEMBL1725084 0.74 GAA (0.38) ALDH1A1KMT2A
SCHEMBL1710504 0.74 HTR6 (0.44) AOC2ALDH1A1KMT2AL3MBTL1
SCHEMBL11191894 0.74 GAA (0.47) ALDH1A1KMT2AL3MBTL1
SCHEMBL612992 0.73 MAPK14 (0.37)

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 AOC2 1356/4885MAOB 2402/4885ALDH1A1 314/4885

“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.