Sugi Predict

Sugi Predict / Compounds / SCHEMBL212834

SCHEMBL212834

SCHEMBL212834

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCC(=O)O)COC(=O)Nc1cc(-c2ccccc2)no1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.41
▸ TP53 P04637 3/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ RORC P51449 1/20 0.36
▸ PTGFR P43088 4/20 0.36
▸ THRB P10828 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ MMP12 P39900 2/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ MMP3 P08254 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL214098 0.95 MAPT (0.38) MAPTTP53SMN1; SMN2RORCPTGFR
SCHEMBL2725003 0.94 MAPT (0.40) MAPTTP53SMN1; SMN2RORCPTGFR
SCHEMBL212147 0.92 MAPT (0.42) MAPTTP53SMN1; SMN2RORCPTGFR
SCHEMBL212136 0.92 MAPT (0.40) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL209955 0.91 MAPT (0.39) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL4343016 0.90 MAPT (0.37) MAPTTP53SMN1; SMN2RORC
SCHEMBL2725247 0.90 MAPT (0.41) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL2726185 0.89 MAPT (0.36) MAPTTP53SMN1; SMN2RORCNPC1
SCHEMBL2838805 0.89 MAPT (0.37) MAPTTP53SMN1; SMN2RORCTHRB
SCHEMBL2725416 0.89 MAPT (0.36) MAPTTP53SMN1; SMN2RORC

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 MAPT 530/4885TP53 2206/4885SMN1; SMN2 252/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885TP53 2206/4885SMN1; SMN2 252/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885TP53 2206/4885SMN1; SMN2 252/4885

“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.