SCHEMBL799156

SCHEMBL799156

Cc1nc(NC(=O)Nc2ccccc2OCCC(C)C)sc1-c1csc(S(=O)(=O)N(C)CCN(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
ALOX12 P18054 1/20 0.39
GAA P10253 2/20 0.38
PI4KB Q9UBF8 5/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CFTR P13569 1/20 0.37
CYP2D6 P10635 1/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CA P42336 4/20 0.36

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
SCHEMBL172000 0.84 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL799332 0.81 ALDH1A1 (0.37) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL1236897 0.77 PIK3CG (0.48) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL799253 0.76 PIK3CD (0.58) KMT2AMEN1PI4KBPIK3CDPIK3CA
SCHEMBL799218 0.66 RAB9A (0.56) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL1235187 0.65 PIK3CG (0.54) ALDH1A1MAPTHPGDKDM4EHTT
SCHEMBL799259 0.64 PI4KB (0.39) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL49055 0.64 PIK3CD (0.66) PI4KBPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12904134 0.64 PIK3CG (0.48) PI4KBCYP1A2CYP3A4CYP2C9PIK3CD
SCHEMBL798733 0.64 PIK3CG (0.61) ALDH1A1MAPTKMT2AMEN1KDM4E

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ALDH1A1 3750/4885MAPT 2574/4885KMT2A 2921/4885

“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.