SCHEMBL18872368

SCHEMBL18872368

CC[C@@H](COS(N)(=O)=O)[C@@H](O)Cn1ccc2c(N[C@H](C)c3ccccc3)ncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ KDR P35968 2/20 0.39
▸ AURKA O14965 3/20 0.39
▸ RPS6KB1 P23443 3/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL21283387 0.81 KDM4E (0.45) EGFRAURKARPS6KB1TP53LMNA
SCHEMBL21283406 0.81 ATG7 (0.35) RPS6KB1
SCHEMBL21283371 0.81 POLB (0.39) AURKARPS6KB1
SCHEMBL21283368 0.79 LMNA (0.41) EGFRRPS6KB1TP53LMNA
SCHEMBL18872389 0.79 NAE1 (0.58) EGFRAURKARPS6KB1AURKB
SCHEMBL21283373 0.78 ACACB (0.36) AURKARPS6KB1
SCHEMBL21283366 0.78 NAE1 (0.42) AURKARPS6KB1
SCHEMBL21283396 0.78 NAE1 (0.42) AURKARPS6KB1
SCHEMBL21283372 0.78 NAE1 (0.42) —
SCHEMBL18872635 0.78 AURKA (0.42) AURKARPS6KB1AURKB

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-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 — — 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-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 EGFR 1722/4885HDAC3 2580/4885HDAC4 2643/4885

“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.

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