SCHEMBL415706

SCHEMBL415706

COC(=O)c1ccc2c(c1)C=C(C(=O)O)CO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.59
CA9 Q16790 6/20 0.59
SHMT2 P34897 1/20 0.46
MAOB P27338 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CA2 P00918 4/20 0.42
ALOX5 P09917 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MTNR1A P48039 1/20 0.41

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
SCHEMBL28804341 0.85 ALDH1A1 (0.50) CA12CA9SHMT2MAOBMEN1
SCHEMBL1519371 0.82 ALDH1A1 (0.58) CA12CA9MEN1KMT2AMAPT
SCHEMBL1810408 0.82 CA12 (0.51) CA12CA9SHMT2MAOBMEN1
SCHEMBL3198679 0.80 MAOB (0.64) CA12CA9SHMT2MAOBMEN1
SCHEMBL20839505 0.78 MEN1 (0.48) CA12CA9SHMT2MAOBMEN1
SCHEMBL24229499 0.77 NR1H4 (0.49) CA12CA9SHMT2MAOBMEN1
SCHEMBL3187719 0.76 MEN1 (0.46) SHMT2MAOBMEN1KMT2AMAPT
SCHEMBL545919 0.76 MEN1 (0.46) SHMT2MAOBMEN1KMT2AMAPT
SCHEMBL1758715 0.76 MAPT (0.55) CA12CA9SHMT2MAOBMEN1
SCHEMBL5858926 0.76 SHMT2 (0.47) CA12CA9SHMT2MAOBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613775-B1 N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-8716285-B2 N-hydroxy-benzamids for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
US-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012031993-A1 NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO 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-20120065204-A1 NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER HNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRAS CA12 1296/4885CA9 1875/4885SHMT2 163/4885

“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.