SCHEMBL14045869

SCHEMBL14045869

CCC(C)(C)c1ccc(S(=O)(=O)NCC(=O)ON)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
MMP1 P03956 2/20 0.44
OPRK1 P41145 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
CASP1 P29466 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL4930709 0.81 MMP1 (0.68) MMP1ADAMTS4MMP2MMP13MMP14
SCHEMBL14052271 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KDM4EGAAOPRK1
SCHEMBL23343636 0.75 CA12 (0.60) ALDH1A1SMN1; SMN2KDM4EGAAOPRK1
SCHEMBL14045835 0.74 ALDH1A1 (0.44) ALDH1A1OPRK1CA2MMP2MMP13
SCHEMBL14045734 0.74 SLC1A2 (0.46) ALDH1A1MMP1OPRK1ADAMTS4MMP2
SCHEMBL23052429 0.71 LMNA (0.51) ALDH1A1SMN1; SMN2KDM4ECA12CA1
SCHEMBL14616696 0.71 NPC1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ACA1
SCHEMBL14280991 0.71 MMP1 (0.62) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL23052525 0.70 CA12 (0.63) ALDH1A1SMN1; SMN2KDM4EOPRK1CA12
SCHEMBL5090951 0.70 CA1 (0.57) ALDH1A1SMN1; SMN2KDM4ENPC1GAA

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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof GENMEDICA THERAPEUTICS SL (ES) 2008-10-30 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-20080269282-A1 Compounds for Inhibiting Copper-Containing Amine Oxidases and Uses Thereof AOC2, AOC3, AOC1 ALDH1A1 28/4885SMN1; SMN2 1214/4885KDM4E 1359/4885

“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.