SCHEMBL5782191

SCHEMBL5782191

CCC(C)OC(=O)C(NC(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.45
CA1 P00915 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5784048 0.89 RAB9A (0.51) NPSR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5784866 0.88 ALDH1A1 (0.51) CA2CA1NPSR1KMT2ASMN1; SMN2
SCHEMBL1828343 0.85 TAS1R3 (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5782820 0.84 HDAC1 (0.46) NPSR1MEN1KMT2AKDM4ELMNA
SCHEMBL5784579 0.83 HDAC1 (0.47) NPSR1ALDH1A1LMNAHTTHDAC1
SCHEMBL4988590 0.81 XIAP (0.40) KMT2AMAPTTDP1KDM4E
SCHEMBL5783781 0.81 CA12 (0.42) CA2CA1MEN1KMT2ASMN1; SMN2
SCHEMBL14798404 0.80 TAS1R3 (0.54) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5784288 0.79 GRN (0.44) NPSR1MAPT
SCHEMBL15049593 0.79 SMN1; SMN2 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CA2 126/4885CA1 470/4885NPSR1 1601/4885

“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.