SCHEMBL4402240

SCHEMBL4402240

COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 2/20 0.40
BRD2 P25440 2/20 0.40
BRD3 Q15059 2/20 0.40
CNR1 P21554 1/20 0.40
CCKBR P32239 1/20 0.39
CCR8 P51685 1/20 0.34
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
IDO1 P14902 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL3936548 0.70 GAA (0.62) GAANPC1ALDH1A1CNR1CCKBR
SCHEMBL3018475 0.70 GAA (0.62) GAANPC1ALDH1A1CNR1CCKBR
SCHEMBL4415422 0.68 MCL1 (0.44) GAAALDH1A1BRD4BRD2BRD3
SCHEMBL8397225 0.66 ALDH1A1 (0.78) GAANPC1ALDH1A1MAPTIDO1
SCHEMBL4403631 0.62 NMT1 (0.45) BRD4BRD2BRD3LMNAMAPT
SCHEMBL29868005 0.61 ALDH1A1 (1.00) GAANPC1ALDH1A1SMN1; SMN2TP53
SCHEMBL10845124 0.61 ALDH1A1 (0.69) GAANPC1ALDH1A1MEN1LMNA
SCHEMBL14538236 0.61 ALDH1A1 (0.71) GAAALDH1A1MEN1LMNAKMT2A
SCHEMBL4412411 0.60 KMT2A (0.74) GAAALDH1A1MEN1LMNAKMT2A
Urea SCHEMBL4201733 0.60 EPHX1 (0.45) BRD4BRD2BRD3CCR8LMNA

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 GAA 250/4885NPC1 2820/4885ALDH1A1 1742/4885

“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.