SCHEMBL7213256

SCHEMBL7213256

CCCC(C)C[C@H](COS(=O)(=O)c1ccc(C)cc1)CC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.33
STAT3 P40763 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1D1 P20393 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MMP13 P45452 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MDM2 Q00987 1/20 0.32
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31

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
SCHEMBL3833448 1.00 CA12 (0.36) CA12CA2CA9ALDH1A1STAT3
SCHEMBL3116629 1.00 CA12 (0.36) CA12CA2CA9ALDH1A1STAT3
SCHEMBL3117255 1.00 CA12 (0.36) CA12CA2CA9ALDH1A1STAT3
SCHEMBL3122917 0.94 PLA2G2C (0.34) CA12CA2CA9ALDH1A1STAT3
SCHEMBL3123597 0.93 PLA2G2C (0.36) CA12CA2CA9ALDH1A1STAT3
SCHEMBL3118259 0.93 PLA2G2C (0.36) CA12CA2CA9ALDH1A1STAT3
SCHEMBL27486951 0.93 PLA2G2C (0.36) CA12CA2CA9ALDH1A1STAT3
SCHEMBL4374409 0.91 KMT2A (0.35) CA2ALDH1A1STAT3MEN1KMT2A
SCHEMBL3831947 0.91 KMT2A (0.35) CA2ALDH1A1STAT3MEN1KMT2A
SCHEMBL3116664 0.91 KMT2A (0.35) CA2ALDH1A1STAT3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 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-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 CA12 474/4885CA2 205/4885CA9 325/4885

“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.