SCHEMBL4183425

SCHEMBL4183425

CCCC[C@H](NC(=O)CCC1CCCC1)C(=O)NCC1CN(S(=O)(=O)c2ccccc2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
REN P00797 2/20 0.42
BCHE P06276 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4188418 0.90 KMT2A (0.45) MAPK1RENALDH1A1HDAC3HDAC4
SCHEMBL4192514 0.90 KMT2A (0.45) MAPK1RENALDH1A1HDAC3HDAC4
SCHEMBL4183317 0.88 ATM (0.40) MAPK1RENBCHEALDH1A1NMT2
SCHEMBL4185687 0.86 KMT2A (0.42) MAPK1RENALDH1A1NMT2NMT1
SCHEMBL4184949 0.85 MAPT (0.43) MAPK1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4171001 0.83 ATM (0.41) MAPK1RENBCHEALDH1A1KDM4E
SCHEMBL5487944 0.82 KMT2A (0.48) MAPK1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4185927 0.81 KMT2A (0.43) MAPK1ALDH1A1MEN1KMT2AHPGD
SCHEMBL4185754 0.79 CTSK (0.46) BCHE
SCHEMBL4183423 0.79 KMT2A (0.46) MAPK1ALDH1A1KDM4EMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US disclosed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP disclosed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 MAPK1 1920/4885REN 565/4885BCHE 3323/4885

“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.