SCHEMBL4748455

SCHEMBL4748455

CC(C)(C)OC(=O)NNNCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
ATM Q13315 1/20 0.52
AKT1 P31749 3/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSK P43235 2/20 0.46
PPARA Q07869 2/20 0.46
SYK P43405 1/20 0.46
IDO1 P14902 1/20 0.45
CTSS P25774 4/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL4632779 0.90 CA12 (0.60) CA12CA1CA7CA14ATM
SCHEMBL6447258 0.82 HDAC1 (0.52) CA12CA1CA7CA14ATM
SCHEMBL6243210 0.80 HDAC1 (0.54) CA12CA1CA7CA14ATM
SCHEMBL3838871 0.80 CA12 (0.63) CA12CA1CA7CA14ATM
SCHEMBL4193438 0.80 CA12 (0.56) CA12CA1CA7CA14ATM
SCHEMBL29800530 0.79 CA12 (0.48) CA12CA1CA7CA14ATM
SCHEMBL7328495 0.78 CTSK (0.50) CA12CA1CA7CA14ATM
SCHEMBL421286 0.78 SYK (0.61) CA12CA1CA7CA14AKT1
Acetic Acid SCHEMBL7982271 0.78 CA12 (0.60) CA12CA1CA7CA14ATM
SCHEMBL6445761 0.78 ESRRG (0.55) CA12CA1CA7CA14ATM

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 CA12 3906/4885CA1 4426/4885CA7 4109/4885

“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.