SCHEMBL13028672

SCHEMBL13028672

CC(C)(C)C(=O)[C@@H](N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16449781 1.00 MAPT (0.44) MAPTHSP90AA1GPR55HIF1ACYP3A4
SCHEMBL15745582 1.00 MAPT (0.44) MAPTHSP90AA1GPR55HIF1ACYP3A4
SCHEMBL13305755 0.86 CYP2C19 (0.42) MAPTHIF1AADRA2AADRA2CLMNA
SCHEMBL13351981 0.81 RIPK1 (0.50) MAPTLMNA
SCHEMBL25530546 0.80 KIF11 (0.43) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL8462436 0.78 SRC (0.56) MAPTHSP90AA1GPR55HIF1ACYP3A4
SCHEMBL409758 0.78 POLB (0.50) MAPTHSP90AA1GPR55HIF1ACYP3A4
SCHEMBL7762850 0.78 GRM8 (0.44) CYP3A4LMNAL3MBTL1
SCHEMBL8279099 0.78 LMNA (0.48) HIF1AADRA2AADRA2CLMNAKDM4E
SCHEMBL11985509 0.78 LMNA (0.48) HIF1AADRA2AADRA2CLMNAKDM4E

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-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 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 (2 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-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB MAPT 3009/4885HSP90AA1 1868/4885GPR55 2694/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB MAPT 3009/4885HSP90AA1 1868/4885GPR55 2694/4885

“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.