SCHEMBL5643109

SCHEMBL5643109

CC1(C)OC(=O)C(C(=O)[C@@H]2CCCN2C(=O)O)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.34
BACE1 P56817 1/20 0.33
REN P00797 3/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
F2 P00734 1/20 0.32
LTA4H P09960 1/20 0.32
MAPT P10636 1/20 0.32
PEPD P12955 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.32
HTR2A P28223 1/20 0.32
PTGS2 P35354 1/20 0.32
HRH1 P35367 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2454863 0.82 HSD17B10 (0.47) LMNAHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL2454866 0.82 HSD17B10 (0.47) LMNAHSD17B10KDM4EALDH1A1SMN1; SMN2
SCHEMBL5641449 0.77 POLB (0.33) BACE1
SCHEMBL25370302 0.75 BACE1 (0.35) BACE1
SCHEMBL16701763 0.74 MAPT (0.32) BACE1MAPTSMN1; SMN2
SCHEMBL16197279 0.74 MAPT (0.37) BACE1LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL1403152 0.72 BACE1 (0.40) BACE1MAPTALDH1A1SMN1; SMN2
SCHEMBL1403176 0.72 BACE1 (0.40) BACE1MAPTSMN1; SMN2
SCHEMBL14698626 0.71 MAPT (0.32) BACE1MAPTSMN1; SMN2
SCHEMBL7993286 0.71 BACE1 (0.41) BACE1MAPTSMN1; SMN2

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-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB ACE 879/4885BACE1 636/4885REN 370/4885

“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.