SCHEMBL13528024

SCHEMBL13528024

C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CTSL P07711 1/20 0.34
CTSK P43235 4/20 0.33
CTSS P25774 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR1 O43613 1/20 0.32
PREP P48147 1/20 0.32

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
SCHEMBL13725768 0.82 HCRTR2 (0.40) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL28588817 0.82 HCRTR2 (0.40) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL28580334 0.81 HCRTR2 (0.39) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL28580336 0.81 HCRTR2 (0.39) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL18681520 0.80 CA1 (0.45) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL590366 0.80 CA1 (0.45) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL15627222 0.80 CA1 (0.45) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL14357347 0.80 CA1 (0.45) HCRTR2CA1CA2CA7CYP2D6
SCHEMBL3182760 0.79 HCRTR2 (0.34) HCRTR2CA2HCRTR1
SCHEMBL14163608 0.77 HCRTR2 (0.45) HCRTR2KMT2AGAA

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
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

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 HCRTR2 2344/4885CA1 4362/4885CA2 4510/4885

“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.