SCHEMBL4246502

SCHEMBL4246502

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RIPK1 Q13546 1/20 0.46
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
CTSK P43235 1/20 0.43
OPRK1 P41145 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
PPID Q08752 1/20 0.42
MMP8 P22894 1/20 0.42
HPGD P15428 1/20 0.41
AKT1 P31749 2/20 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
SCHEMBL4193440 0.82 CA12 (0.47) CA12CA1CA7CA14RIPK1
SCHEMBL4256142 0.78 AKT1 (0.45) CA12CA1CA7CA14RIPK1
SCHEMBL13430486 0.76 OPRM1 (0.44) CA12CA1CA7CA14RIPK1
SCHEMBL3838871 0.76 CA12 (0.63) CA12CA1CA7CA14RIPK1
SCHEMBL4254554 0.75 PPID (0.48) CA12CA1CA7CA14RIPK1
SCHEMBL31248355 0.75 PRSS1 (0.52) CA12CA1CA7CA14RIPK1
SCHEMBL4246507 0.75 AKT1 (0.53) CA12CA1CA7CA14RIPK1
SCHEMBL4401029 0.75 LMNA (0.48) CA12CA1CA7CA14ATM
SCHEMBL5821792 0.75 SMN1; SMN2 (0.42) CA12CA1CA7CA14RIPK1
SCHEMBL6783730 0.74 AKT1 (0.62) CA12CA1CA7CA14RIPK1

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 CA12 3213/4885CA1 2239/4885CA7 3819/4885

“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.