SCHEMBL2509380

SCHEMBL2509380

CC(NC(=O)O)C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 7/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
CXCR1 P25024 1/20 0.34
POLB P06746 1/20 0.34
CXCL8 P10145 1/20 0.33
MAPK1 P28482 1/20 0.33
USP30 Q70CQ3 1/20 0.33
PYGL P06737 1/20 0.33
CCR6 P51684 1/20 0.33

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
SCHEMBL2508252 0.88 ALDH1A1 (0.40) CXCR2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2506898 0.88 PKM (0.44) CXCR2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2507095 0.88 AAK1 (0.37) CXCR2MEN1KMT2AKDM4E
SCHEMBL2507092 0.88 AAK1 (0.37) CXCR2MEN1KMT2AKDM4E
SCHEMBL2510641 0.79 LMNA (0.45) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2507585 0.79 CYP3A4 (0.40) CXCR2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2503797 0.78 AAK1 (0.38) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2503798 0.78 AAK1 (0.38) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2508276 0.78 PKM (0.40) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL2508270 0.78 PKM (0.40) ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CXCR2 652/4885ALDH1A1 3905/4885CYP3A4 3267/4885

“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.