SCHEMBL5657755

SCHEMBL5657755

O=S(=O)(O)c1ccc(OCC#CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.46
MMP13 P45452 11/20 0.46
MMP9 P14780 10/20 0.46
MMP1 P03956 9/20 0.46
ADAM10 O14672 2/20 0.46
MMP3 P08254 2/20 0.46
ADAM9 Q13443 2/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA4 P22748 1/20 0.44
MMP2 P08253 5/20 0.42
MMP8 P22894 4/20 0.42
MMP14 P50281 1/20 0.42
MMP7 P09237 2/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5659508 0.98 ADAM17 (0.45) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL5659505 0.85 CA12 (0.44) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6407732 0.85 CA12 (0.46) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6409762 0.85 ADAM17 (0.46) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL6275169 0.85 CA12 (0.44) ADAM17MMP13MMP9MMP1ADAM10
SCHEMBL8044163 0.85 ADAM17 (0.47) ADAM17MMP13MMP9MMP1CA12
SCHEMBL14245317 0.83 ADAM17 (0.63) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6261997 0.81 ADAM17 (0.61) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL5657188 0.81 ADAM17 (0.44) ADAM17MMP13MMP9MMP1CA12
SCHEMBL10578255 0.80 ADAM17 (0.46) ADAM17MMP13MMP9MMP1ADAM10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179911-B2 coupling a silyl ester of (3S)-2,2-dimethyl-tetrahydro-2H-1,4-thiazine-3-carboxylic acid with 6,4-[4-(chlorosulfonyl)phenoxy]-2-butynyl acetate, hydrolyzing the silyl ester WYETH (US) 2007-02-20 US disclosed
US-7179911-B2 coupling a silyl ester of (3S)-2,2-dimethyl-tetrahydro-2H-1,4-thiazine-3-carboxylic acid with 6,4-[4-(chlorosulfonyl)phenoxy]-2-butynyl acetate, hydrolyzing the silyl ester WYETH (US) 2007-02-20 US disclosed
WO-2005123705-A1 METHOD FOR PREPARING HYDROXAMIC ACIDS WYETH (US) 2005-12-29 WO disclosed
US-20050272928-A1 Method for preparing hydroxamic acids WYETH (US) 2005-12-08 US disclosed
US-20050272928-A1 Method for preparing hydroxamic acids WYETH (US) 2005-12-08 US 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-20050272928-A1 Method for preparing hydroxamic acids H1-5, HDAC5, PGA5 ADAM17 687/4885MMP13 389/4885MMP9 469/4885

“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.