SCHEMBL4415422

SCHEMBL4415422

COC(=O)c1cc(C)c(S(=O)(=O)NC2CCNCC2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.44
BRD4 O60885 2/20 0.42
BRD2 P25440 2/20 0.42
BRD3 Q15059 2/20 0.42
PIK3C2G O75747 1/20 0.39
HTT P42858 1/20 0.38
PI4KA P42356 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CCR8 P51685 1/20 0.37
WNT3 P56703 1/20 0.37
SFRP1 Q8N474 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
POLB P06746 1/20 0.35
CSNK2A2 P19784 1/20 0.35
KDR P35968 1/20 0.35
CSNK2B P67870 1/20 0.35

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
SCHEMBL4551171 0.86 BRD4 (0.45) MCL1BRD4BRD2BRD3HTT
SCHEMBL15881071 0.76 MCL1 (0.53) MCL1SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL4607774 0.75 MCL1 (0.46) MCL1ALDH1A1TP53
SCHEMBL26663815 0.73 MCL1 (0.54) MCL1SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL2304762 0.72 MCL1 (0.49) MCL1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL4698535 0.71 DPP4 (0.48)
SCHEMBL2305822 0.71 MCL1 (0.51) MCL1SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL4607766 0.71 MCL1 (0.44) MCL1HTTSMN1; SMN2ALDH1A1HPGD
SCHEMBL14507410 0.69 MCL1 (0.40) MCL1SMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL4402240 0.68 GAA (0.54) BRD4BRD2BRD3SMN1; 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 3 patents. 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
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP disclosed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 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-20090156465-A1 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 MCL1 3236/4885BRD4 2356/4885BRD2 3713/4885

“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.