SCHEMBL6498943

SCHEMBL6498943

CC(C)(C)OC(=O)NC(=O)O[C@@H]1CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
GAA P10253 1/20 0.35
EPHX1 P07099 3/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
CACNA1B Q00975 4/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL27813335 0.82 BTK (0.45) BTKGAAEPHX1TSHRSMN1; SMN2
SCHEMBL26043772 0.82 EPHX1 (0.49) BTKGAAEPHX1SMN1; SMN2CACNA1B
SCHEMBL8315231 0.81 SLC6A1 (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27791244 0.81 EPHX1 (0.51) BTKGAAEPHX1TSHRSMN1; SMN2
SCHEMBL4079901 0.81 EPHX1 (0.51) BTKGAAEPHX1TSHRSMN1; SMN2
SCHEMBL17513413 0.80 SLC6A1 (0.37) EPHX1SLC6A1SLC6A11TSHRLMNA
SCHEMBL3698542 0.80 SLC6A1 (0.37) EPHX1SLC6A1SLC6A11TSHRLMNA
SCHEMBL740082 0.80 SLC6A1 (0.37) EPHX1SLC6A1SLC6A11TSHRLMNA
SCHEMBL21197505 0.79 NFKB1 (0.41) BTKGAAEPHX1TSHRCACNA1B
SCHEMBL27714015 0.78 SLC6A1 (0.40) EPHX1SLC6A1SLC6A11TSHRLMNA

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-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 BTK 71/4885GAA 1629/4885EPHX1 1332/4885

“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.