SCHEMBL9607901

SCHEMBL9607901

CC(C)(O)CNC[C@@H](COC(=O)Nc1cc2cc(F)ccc2cn1)N(CC(F)F)C(=O)NCc1cccc(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
MAPK1 P28482 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
ABL1 P00519 1/20 0.32
PTGES O14684 2/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL212899 0.92 MAPK1 (0.34) MAPK1ANO1ABL1PTGES
SCHEMBL213122 0.86 ANO1 (0.34) TGFBR1MAPK1ANO1PTGES
SCHEMBL2726612 0.84 ANO1 (0.35) TGFBR1MAPK1ANO1ABL1PDCD1
SCHEMBL212510 0.84 TGFBR1 (0.32) TGFBR1MAPK1ANO1ABL1
SCHEMBL212408 0.84 ANO1 (0.34) MAPK1ANO1ABL1PTGES
SCHEMBL2722512 0.82 ABL1 (0.36) ANO1ABL1
SCHEMBL211930 0.81 ABL1 (0.34) MAPK1ANO1ABL1
SCHEMBL8511079 0.81 MAPK1 (0.37) MAPK1ANO1ABL1
SCHEMBL2724403 0.81 GSK3B (0.36) ANO1ABL1PTGES
SCHEMBL2725708 0.81 ABL1 (0.32) MAPK1ANO1ABL1

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 TGFBR1 2802/4885MAPK1 2926/4885ANO1 1073/4885

“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.