SCHEMBL8510311

SCHEMBL8510311

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.34
ABL1 P00519 7/20 0.33
NOTUM Q6P988 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 3/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
MAP3K7 O43318 1/20 0.31
MAP3K6 O95382 1/20 0.31
MAP3K5 Q99683 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 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
SCHEMBL212521 0.93 P2RX4 (0.32) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL210471 0.92 P2RX4 (0.34) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL2867935 0.90 P2RX4 (0.35) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL212117 0.90 CTSK (0.35) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL211887 0.90 CTSK (0.32) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL212520 0.90 CTSK (0.34) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL2840212 0.89 P2RX4 (0.33) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL211589 0.89 P2RX4 (0.33) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL210223 0.89 CTSK (0.34) P2RX4ABL1NOTUMTDP1CTSK
SCHEMBL2840024 0.89 P2RX4 (0.33) P2RX4ABL1NOTUMTDP1CTSK

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 P2RX4 1405/4885ABL1 956/4885NOTUM 2164/4885

“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.