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SCHEMBL212045

SCHEMBL212045

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1cc(-c2ccccc2)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.34
▸ P2RX7 Q99572 2/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ PTGS1 P23219 2/20 0.32
▸ EPHX2 P34913 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ MET P08581 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL2727738 0.94 CACNA1G (0.34) FOLH1P2RX7CACNA1GCACNA1HMET
SCHEMBL211312 0.93 CACNA1G (0.35) P2RX7CACNA1GCACNA1HMETGRM5
SCHEMBL211944 0.88 MAPT (0.41) FOLH1P2RX7MET
SCHEMBL212044 0.87 GRM5 (0.31) P2RX7CACNA1GCACNA1HPTGS1EPHX2
SCHEMBL210987 0.86 FOLH1 (0.36) FOLH1P2RX7MEN1KMT2A
SCHEMBL214679 0.83 CTSK (0.37) FOLH1P2RX7MET
SCHEMBL212363 0.83 CTSK (0.37) FOLH1P2RX7MET
SCHEMBL212193 0.83 CTSK (0.37) FOLH1P2RX7MET
SCHEMBL2726206 0.83 MAPT (0.40) FOLH1P2RX7CACNA1GCACNA1HMET
SCHEMBL210625 0.82 MAPT (0.41) FOLH1MEN1KMT2ATP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 — — US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 — — US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 — — US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 — — US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 — — US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 — — 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 (3 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 FOLH1 1811/4885P2RX7 1556/4885CACNA1G 1183/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FOLH1 1811/4885P2RX7 1556/4885CACNA1G 1183/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 FOLH1 1811/4885P2RX7 1556/4885CACNA1G 1183/4885

“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.