SCHEMBL3180941

SCHEMBL3180941

C[C@@H](N[C@H](C)[C@@H]1COC(C)(C)O1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
GAA P10253 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
HCRTR2 O43614 5/20 0.36
HCRTR1 O43613 3/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
ACP3 P15309 2/20 0.35
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 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
SCHEMBL1222781 0.82 SIGMAR1 (0.36) L3MBTL1GAASIGMAR1HCRTR2HCRTR1
SCHEMBL6988968 0.82 SIGMAR1 (0.36) L3MBTL1GAASIGMAR1HCRTR2HCRTR1
SCHEMBL1222778 0.82 SIGMAR1 (0.36) L3MBTL1GAASIGMAR1HCRTR2HCRTR1
SCHEMBL6994527 0.82 SIGMAR1 (0.36) L3MBTL1GAASIGMAR1HCRTR2HCRTR1
SCHEMBL31335170 0.75 SIGMAR1 (0.41) SIGMAR1HCRTR2HCRTR1POLB
SCHEMBL21210136 0.75 SIGMAR1 (0.41) SIGMAR1HCRTR2HCRTR1POLB
SCHEMBL13528037 0.75 SIGMAR1 (0.41) SIGMAR1HCRTR2HCRTR1POLB
SCHEMBL21210139 0.75 SIGMAR1 (0.41) SIGMAR1HCRTR2HCRTR1POLB
SCHEMBL13528036 0.75 SIGMAR1 (0.41) SIGMAR1HCRTR2HCRTR1POLB
SCHEMBL13528035 0.75 SIGMAR1 (0.41) SIGMAR1HCRTR2HCRTR1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010007427-A1 PYRIMIDYL SULFONAMINDE DERIVATIVE AND ITS USE FOR THE TREATMENT OF CHEMOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-01-21 WO disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-20100016275-A1 NOVEL COMPOUND 395 ASTRAZENECA AB (SE) 2010-01-21 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-20100016275-A1 NOVEL COMPOUND 395 CCL5, CCL2, CCL11 L3MBTL1 4176/4885GAA 3860/4885SIGMAR1 2806/4885

“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.