SCHEMBL4870153

SCHEMBL4870153

CCC(C)OON1C(=O)c2ccccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
VDR P11473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
F2 P00734 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CASP3 P42574 1/20 0.39
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL15581867 0.82 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4874091 0.82 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL3001320 0.81 TNF (0.46) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL2989624 0.78 ALDH1A1 (0.44) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL5047693 0.76 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2ACYP1A2
SCHEMBL8980783 0.75 LMNA (0.45) GAAALDH1A1MAPTKDM4EKMT2A
SCHEMBL20768726 0.74 GAA (0.56) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL23126300 0.74 GAA (0.49) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4869158 0.73 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL3713532 0.73 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 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 (2 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP GAA 120/4885ALDH1A1 1841/4885MAPT 1933/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP GAA 120/4885ALDH1A1 1841/4885MAPT 1933/4885

“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.