SCHEMBL1722751

SCHEMBL1722751

N#CCC(O)c1cccc(S(=O)(=O)CCCc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
KDM4E B2RXH2 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
TBXAS1 P24557 1/20 0.38
CA2 P00918 1/20 0.37
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LSS P48449 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL1710710 0.87 MAPT (0.47) HSD11B1ALDH1A1TSHRLMNAADRB3
SCHEMBL1710388 0.82 HDAC1 (0.42) HDAC1HDAC8KDM4EMMP1MMP2
SCHEMBL1710730 0.79 KMT2A (0.39) ALDH1A1TSHR
SCHEMBL2150986 0.75 LMNA (0.44) KDM4EALDH1A1LMNACNR1ADRB2
SCHEMBL1710696 0.75 MAOA (0.44) HDAC1ALDH1A1LMNAFAAHCYSLTR2
SCHEMBL1710558 0.74 CA1 (0.32) CA2HSD11B1
SCHEMBL2150463 0.73 HTR6 (0.49) HDAC1HDAC8ALDH1A1LMNAKEAP1
SCHEMBL10995947 0.72 HDAC1 (0.63) HDAC1HDAC8KDM4EMMP1MMP3
SCHEMBL2150569 0.72 L3MBTL1 (0.47) HDAC1ALDH1A1LMNAADRB2ADRB3
SCHEMBL2207644 0.72 FFAR1 (0.43) TSHRLMNAADRB2

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 3 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
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 HDAC1 1416/4885HDAC8 802/4885KDM4E 3778/4885

“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.