SCHEMBL4256142

SCHEMBL4256142

CNN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RIPK1 Q13546 1/20 0.43
ATM Q13315 1/20 0.43
PPID Q08752 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
CTSK P43235 1/20 0.41
OPRK1 P41145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
NPC1 O15118 1/20 0.40
MMP8 P22894 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL4178789 0.82 OPRM1 (0.47) RIPK1LMNASMN1; SMN2OPRM1OPRL1
SCHEMBL4246748 0.80 AKT1 (0.52) AKT1CA12CA1CA7CA14
SCHEMBL4246502 0.78 CA12 (0.46) AKT1CA12CA1CA7CA14
SCHEMBL13745279 0.76 PPID (0.49) AKT1CA12CA1CA7CA14
SCHEMBL4256140 0.76 PPID (0.46) CA12CA1CA7CA14RIPK1
SCHEMBL28872153 0.76 GAA (0.53) CA12CA1CA7CA14RIPK1
SCHEMBL6988810 0.75 PPID (0.68) CA12CA1CA7CA14RIPK1
SCHEMBL13745661 0.74 PPID (0.47) AKT1CA12CA1CA7CA14
SCHEMBL4251703 0.74 AKT1 (0.46) AKT1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL734928 0.74 ATM (0.55) AKT1CA12CA1CA7CA14

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.