SCHEMBL4246507

SCHEMBL4246507

CN(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ATM Q13315 1/20 0.51
CTSS P25774 4/20 0.50
CTSL P07711 3/20 0.50
CTSB P07858 3/20 0.50
CTSK P43235 3/20 0.48
RIPK1 Q13546 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
IDO1 P14902 1/20 0.44
NAMPT P43490 1/20 0.44
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 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
SCHEMBL3838871 0.82 CA12 (0.63) AKT1CA12CA1CA7CA14
SCHEMBL4256140 0.81 PPID (0.46) CA12CA1CA7CA14ATM
Acetic Acid SCHEMBL7982271 0.79 CA12 (0.60) AKT1CA12CA1CA7CA14
SCHEMBL7797088 0.78 AKT1 (0.63) AKT1CA12CA1CA7CA14
SCHEMBL4254554 0.78 PPID (0.48) AKT1CA12CA1CA7CA14
SCHEMBL9756736 0.78 AKT1 (0.53) AKT1CA12CA1CA7CA14
Acetic Acid Methyl Ester SCHEMBL8138995 0.77 CA12 (0.57) AKT1CA12CA1CA7CA14
Propionic Acid SCHEMBL8139542 0.77 CA12 (0.61) AKT1CA12CA1CA7CA14
Acetaldehyde SCHEMBL3344850 0.77 CA12 (0.57) AKT1CA12CA1CA7CA14
SCHEMBL185365 0.76 ATM (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION CHOONGWAE PHARMA CORPORATION (KR) 2009-08-27 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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION MYLK2, TNNC1, MYH2 AKT1 3193/4885CA12 3213/4885CA1 2239/4885

“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.