SCHEMBL10296015

SCHEMBL10296015

CC(C)S(=O)(=O)C1CCCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP12 P39900 1/20 0.38
ECE1 P42892 1/20 0.38
MMP13 P45452 1/20 0.38
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
EPHX2 P34913 1/20 0.33
LOXL2 Q9Y4K0 3/20 0.32
LOX P28300 1/20 0.32
CA2 P00918 2/20 0.31
EPHX1 P07099 1/20 0.31
KMT2A Q03164 1/20 0.31
CA9 Q16790 1/20 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
SCHEMBL12415514 1.00 MMP1 (0.38) MMP1MMP7MMP12ECE1MMP13
SCHEMBL2600356 0.97 MMP1 (0.35) MMP1MMP7MMP12ECE1MMP13
SCHEMBL17229702 0.92 ADH1B (0.33) MMP1MMP7MMP12ECE1MMP13
SCHEMBL2600354 0.86
SCHEMBL4814249 0.78 MMP1 (0.35) MMP1MMP7MMP12ECE1MMP13
SCHEMBL9341954 0.77 MMP1 (0.34) MMP1MMP7MMP12ECE1MMP13
SCHEMBL14667090 0.75 PIK3CD (0.33)
SCHEMBL21833980 0.75 MMP1 (0.36) MMP1MMP7MMP12ECE1MMP13
SCHEMBL8481304 0.75 GABRA1 (0.50)
SCHEMBL2103979 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 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-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 MMP1 2258/4885MMP7 2271/4885MMP12 2901/4885

“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.