SCHEMBL5068294

SCHEMBL5068294

CC(C)(C)OC(=O)NCC(=O)c1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
LMNA P02545 1/20 0.53
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 3/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
BCHE P06276 1/20 0.47
GAA P10253 1/20 0.47
MCL1 Q07820 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CNR1 P21554 2/20 0.44

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
SCHEMBL4159541 0.80 HPGD (0.55) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL25938096 0.79 ALOX15 (0.57) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL5068292 0.78 NPC1 (0.51) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL17661735 0.77 ALOX15 (0.47) ALDH1A1L3MBTL1LMNAMAPTALOX15
SCHEMBL1981436 0.77 BCHE (0.58) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4916070 0.76 ACKR3 (0.51) RAB9ABCHEHDAC3HDAC4HDAC1
SCHEMBL8373326 0.76 HDAC3 (0.45) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL6643291 0.75 NPC1 (0.67) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL6226886 0.75 NPC1 (0.51) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL3255804 0.75 BCHE (0.50) ALDH1A1L3MBTL1LMNANPC1RAB9A

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-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
US-6534530-B1 Administering (benzo)thiazole peptidomimetic as viricide; protease inhibitors AGOURON PHARMACEUTICALS, INC. 2003-03-18 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-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 ALDH1A1 2457/4885L3MBTL1 1728/4885LMNA 4436/4885

“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.