SCHEMBL5658080

SCHEMBL5658080

CC(=O)OCC#CCOc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KCNH2 Q12809 1/20 0.46
ALOX15 P16050 1/20 0.46
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARA Q07869 1/20 0.43
PKM P14618 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL15863438 0.81 KCNH2 (0.49) ALDH1A1KCNH2ALOX15MTNR1AMTNR1B
SCHEMBL9808291 0.80 KCNH2 (0.57) ALDH1A1KCNH2ALOX15LMNA
SCHEMBL27545848 0.80 ALDH1A1 (0.48) ALDH1A1
SCHEMBL8315005 0.80 KCNH2 (0.47) ALDH1A1KCNH2ALOX15MTNR1AMTNR1B
SCHEMBL5657188 0.79 ADAM17 (0.44) PKM
SCHEMBL6414957 0.78 ADAM17 (0.44)
SCHEMBL5661150 0.78 ADAM17 (0.43) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL6408312 0.78 ADAM17 (0.43)
SCHEMBL896992 0.77 ALDH1A1 (0.53) ALDH1A1ALOX15MTNR1AMTNR1BRAB9A
SCHEMBL144171 0.76 THRB (0.61) ALDH1A1ALOX15MTNR1AMTNR1BKDM4E

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 7 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
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
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 ALDH1A1 1059/4885KCNH2 1905/4885ALOX15 529/4885

“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.