SCHEMBL4551171

SCHEMBL4551171

COC(=O)c1cc(C)c(S(=O)(=O)NC2CCCNC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
BRD2 P25440 2/20 0.45
BRD3 Q15059 2/20 0.45
PI4KB Q9UBF8 4/20 0.42
PI4KA P42356 1/20 0.42
MCL1 Q07820 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRK1 P41145 1/20 0.41
IKBKB O14920 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CHEK1 O14757 3/20 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
SCHEMBL4415422 0.86 MCL1 (0.44) BRD4BRD2BRD3PI4KAMCL1
SCHEMBL26663815 0.73 MCL1 (0.54) MCL1MAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL15881071 0.72 MCL1 (0.53) MCL1MAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4607774 0.72 MCL1 (0.46) MCL1ALDH1A1TP53
SCHEMBL4166429 0.71 BRD4 (0.51) BRD4BRD2BRD3PI4KBPI4KA
SCHEMBL27422587 0.69 BRD4 (0.58) BRD4BRD2BRD3PI4KAHTT
SCHEMBL27422584 0.69 BRD4 (0.58) BRD4BRD2BRD3PI4KAHTT
SCHEMBL2304762 0.69 MCL1 (0.49) MCL1MAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL2305822 0.68 MCL1 (0.51) MCL1MAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL4607766 0.68 MCL1 (0.44) MCL1MAPK1HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2009-06-18 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 BRD4 2356/4885BRD2 3713/4885BRD3 3996/4885

“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.