SCHEMBL8254754

SCHEMBL8254754

COC(=O)[C@H](C)NCC(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.38
TSHR P16473 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.36
PIK3CD O00329 1/20 0.35
MAPT P10636 2/20 0.35
HDAC2 Q92769 1/20 0.34
BIRC2 Q13490 1/20 0.34
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 1/20 0.32
ALOX15 P16050 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL21164616 0.78 MAPT (0.40) TSHRPIK3CDMAPTHDAC2POLB
SCHEMBL8434355 0.76 CA14 (0.39) CA14TSHRKMT2AMEN1MAPT
SCHEMBL7431200 0.74 CA14 (0.46) CA14TSHRKMT2AMEN1CA12
SCHEMBL4095492 0.74 CA14 (0.46) CA14TSHRKMT2AMEN1CA12
SCHEMBL12826610 0.74 CA14 (0.45) CA14TSHRKMT2AMEN1CA12
SCHEMBL20928615 0.74 CA14 (0.45) CA14TSHRKMT2AMEN1CA12
SCHEMBL7432682 0.74 CA14 (0.45) CA14TSHRKMT2AMEN1CA12
SCHEMBL16790440 0.74 CA14 (0.45) CA14TSHRKMT2AMEN1CA12
SCHEMBL7429510 0.74 CA14 (0.45) CA14TSHRKMT2AMEN1CA12
SCHEMBL20380976 0.73 MAPT (0.40) TSHRKMT2AMEN1PIK3CDMAPT

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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 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-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A CA14 4530/4885TSHR 818/4885KMT2A 2302/4885

“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.