SCHEMBL7465046

SCHEMBL7465046

CC(C)C[C@@H](C=O)NC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.55
MMP9 P14780 5/20 0.55
MMP12 P39900 4/20 0.55
ALDH1A1 P00352 3/20 0.49
CAPN1 P07384 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
MAPK14 Q16539 1/20 0.47
HDAC3 O15379 1/20 0.47
MMP1 P03956 1/20 0.47
HPGD P15428 1/20 0.47
UTS2R Q9UKP6 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ADAM17 P78536 1/20 0.46
PGR P06401 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL7471559 0.89 CAPN1 (0.54) ALDH1A1CAPN1SMN1; SMN2HPGDMEN1
SCHEMBL8738919 0.81 ALDH1A1 (0.64) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL7465041 0.80 MMP2 (0.54) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL7472151 0.80 CAPN1 (0.58) CAPN1HDAC3ADAM17
SCHEMBL7462269 0.79 ALDH1A1 (0.55) ALDH1A1CAPN1SMN1; SMN2LMNAHPGD
SCHEMBL27474091 0.77 MAOA (0.47) ALDH1A1CAPN1SMN1; SMN2LMNAHPGD
SCHEMBL8722080 0.77 MMP2 (0.55) MMP2MMP9MMP12ALDH1A1SMN1; SMN2
SCHEMBL10827302 0.77 SMN1; SMN2 (0.52) ALDH1A1CAPN1SMN1; SMN2HPGDMEN1
SCHEMBL14479050 0.76 CTSL (0.53) CAPN1POLB
SCHEMBL8738314 0.76 HPGD (0.66) MMP2ALDH1A1SMN1; SMN2LMNAMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ MMP2 91/4885MMP9 71/4885MMP12 14/4885

“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.