SCHEMBL6018034

SCHEMBL6018034

CC(C)C[C@H](N)C(=O)c1ccc([C](c2ccccc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LARS1 Q9P2J5 1/20 0.42
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
ELANE P08246 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC7A5 Q01650 1/20 0.40
CCR1 P32246 2/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL29491550 0.86 SLC7A5 (0.52) CES2CES1LARS1ANPEPRNPEP
SCHEMBL4420284 0.84 GRN (0.40) LARS1ANPEPRNPEPDNPEPELANE
SCHEMBL8507553 0.81 CES2 (0.49) CES2CES1MEN1GAAKMT2A
SCHEMBL2460854 0.76 TDP1 (0.50) CES2CES1MEN1KMT2AATM
SCHEMBL1969120 0.75 L3MBTL1 (0.41) CES2CES1GAAATMRECQL
SCHEMBL11036149 0.75 LMNA (0.46) LARS1ANPEPRNPEPDNPEPELANE
SCHEMBL5495906 0.75 MDM2 (0.43) CES2CES1MEN1KMT2AATM
SCHEMBL11036148 0.75 LMNA (0.46) LARS1ANPEPRNPEPDNPEPELANE
SCHEMBL27493547 0.74 CES2 (0.61) CES2CES1MEN1GAAKMT2A
SCHEMBL3657476 0.74 SLC7A5 (0.53) CES2CES1MEN1GAAKMT2A

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-20060281687-A1 Cyclin groove inhibitors CYCLACEL LIMITED (GB) 2006-12-14 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-20060281687-A1 Cyclin groove inhibitors CCNC, CCNH, CCNI CES2 3654/4885CES1 3829/4885LARS1 2522/4885

“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.