SCHEMBL29938579

SCHEMBL29938579

CC(C)(C)OC(=O)NC(C)(C)c1cccc(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
GAA P10253 1/20 0.40
KDM4D Q6B0I6 1/20 0.39
CNR2 P34972 1/20 0.39
RORC P51449 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
EGLN2 Q96KS0 2/20 0.37
TBXA2R P21731 1/20 0.37
CTSS P25774 2/20 0.37

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
SCHEMBL29675909 0.82 VNN1 (0.46) VNN1PDK1PDK2PDK3PDK4
SCHEMBL20738675 0.82 EPHX2 (0.43) KDM4DAAK1MEN1MAPTKMT2A
SCHEMBL6163358 0.81 CNR2 (0.51) VNN1PDK1PDK2PDK3PDK4
SCHEMBL29717737 0.80 GAA (0.43) GAAMEN1ALDH1A1KMT2ARXFP1
SCHEMBL17018582 0.80 CYP2C19 (0.44) GAAAAK1MEN1MAPTKMT2A
SCHEMBL21580080 0.80 GAA (0.43) GAAMEN1ALDH1A1KMT2ARXFP1
SCHEMBL5969759 0.78 HDAC3 (0.46) GAAAAK1ALDH1A1CTSSCTSK
SCHEMBL3200118 0.78 GAA (0.42) GAAMEN1ALDH1A1KMT2ARXFP1
SCHEMBL2580865 0.78 AAK1 (0.45) GAAAAK1MEN1ALDH1A1KMT2A
SCHEMBL31237071 0.78 CNR2 (0.49) VNN1PDK1PDK2PDK3PDK4

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
EP-4326257-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS ChemoCentryx, Inc. (US) 2024-02-28 EP disclosed
US-20220348568-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS INC., CHEMOCENTRYX 2022-11-03 US disclosed
WO-2022225832-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CHEMOCENTRYX, INC. (US) 2022-10-27 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-20220348568-A1 AZETIDINYL-ACETAMIDES AS CXCR7 INHIBITORS CXCR1, CXCR5, CXCR6 VNN1 3611/4885PDK1 1845/4885PDK2 2740/4885

“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.