SCHEMBL4874091

SCHEMBL4874091

CCC(C)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
VDR P11473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
F2 P00734 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
TNF P01375 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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 1.00 GAA (0.46) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL18519153 0.84 GAA (0.44) GAAALDH1A1MAPTVDRTDP1
SCHEMBL3713532 0.83 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4869158 0.83 GAA (0.47) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL10439427 0.83 GAA (0.45) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL4870153 0.82 GAA (0.43) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL2078111 0.80 KMT2A (0.49) GAAALDH1A1MAPTVDRKDM4E
SCHEMBL19893985 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL19893990 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL3485808 0.77 GAA (0.42) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 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 (3 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-20060172936-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
US-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 GAA 1094/4885ALDH1A1 2634/4885MAPT 1211/4885

“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.