SCHEMBL8510314

SCHEMBL8510314

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CNC(=O)O)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
ABL1 P00519 9/20 0.33
CTSK P43235 1/20 0.33
MAPK1 P28482 2/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MAP3K7 O43318 1/20 0.33
MAP3K6 O95382 1/20 0.33
MAP3K5 Q99683 1/20 0.33
P2RX7 Q99572 2/20 0.32
QPCT Q16769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MTOR P42345 1/20 0.32
GCK P35557 1/20 0.31

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
SCHEMBL2843258 0.94 NOTUM (0.34) NOTUMABL1CTSKMAPK1PKM
SCHEMBL210181 0.92 MAP4K1 (0.38) MAPK1RAB9AMAP3K5
SCHEMBL210182 0.92 MAP4K1 (0.38) MAPK1RAB9AMAP3K5
SCHEMBL210472 0.92 NOTUM (0.34) NOTUMABL1CTSKMAPK1PKM
SCHEMBL2840214 0.92 ABL1 (0.32) NOTUMABL1CTSKMAPK1PKM
SCHEMBL210946 0.92 MAPK1 (0.35) NOTUMABL1CTSKMAPK1PKM
SCHEMBL210945 0.92 MAPK1 (0.35) NOTUMABL1CTSKMAPK1PKM
SCHEMBL213602 0.91 ABL1 (0.33) NOTUMABL1CTSKMAPK1PKM
SCHEMBL213601 0.91 ABL1 (0.33) NOTUMABL1CTSKMAPK1PKM
SCHEMBL213603 0.91 ABL1 (0.33) NOTUMABL1CTSKMAPK1PKM

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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 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-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 NOTUM 2164/4885ABL1 956/4885CTSK 1455/4885

“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.