SCHEMBL2428822

SCHEMBL2428822

CCOC(=O)C(Cc1ccc(Cl)c(Cl)c1)C(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 2/20 0.52
TACR1 P25103 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PNMT P11086 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MMP8 P22894 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FFAR1 O14842 4/20 0.39
ALOX15 P16050 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
SCHEMBL15261926 0.89 SMN1; SMN2 (0.50) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E
SCHEMBL15262431 0.88 TSHR (0.42) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL2423843 0.87 SMN1; SMN2 (0.54) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E
SCHEMBL15261621 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E
SCHEMBL15261675 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E
SCHEMBL2424744 0.84 IDO1 (0.44) SMN1; SMN2TSHRKDM4EMAPTLMNA
SCHEMBL2428954 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E
SCHEMBL534033 0.84 EPHX2 (0.49) SMN1; SMN2TSHRALDH1A1KDM4EMAPT
SCHEMBL15261907 0.82 SMN1; SMN2 (0.49) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E
SCHEMBL2163757 0.81 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTACR1ALDH1A1KDM4E

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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 WO disclosed
WO-2011114148-A1 4H- [1, 2, 4] TRIAZOLO [5, 1 -B] PYRIMIDIN-7 -ONE DERIVATIVES AS CCR2B RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2011-09-22 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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 SMN1; SMN2 4235/4885TSHR 531/4885TACR1 118/4885

“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.