Sugi Predict

Sugi Predict / Compounds / SCHEMBL2728006

SCHEMBL2728006

SCHEMBL2728006

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCC(=O)N1CCNCC1)COC(=O)Nc1cc(-c2ccccc2)no1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ TP53 P04637 3/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ RORC P51449 1/20 0.32
▸ RPS6KA3 P51812 3/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ OTUD7B Q6GQQ9 2/20 0.32
▸ NPY5R Q15761 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGAV P06756 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
SCHEMBL2724845 0.94 MAPT (0.36) MAPTTP53SMN1; SMN2USP30RORC
SCHEMBL4355828 0.93 MAPT (0.38) MAPTTP53SMN1; SMN2USP30RORC
SCHEMBL2725297 0.91 MAPT (0.34) MAPTTP53SMN1; SMN2USP30RORC
SCHEMBL2726077 0.90 RAB9A (0.32) MAPTSMN1; SMN2USP30RPS6KA2OTUD7B
SCHEMBL210877 0.90 GPR119 (0.40) MAPTTP53USP30
SCHEMBL2758955 0.89 FAAH (0.33) MAPTUSP30RPS6KA2
SCHEMBL212258 0.89 EPHX2 (0.32) MAPTUSP30
SCHEMBL212259 0.89 EPHX2 (0.32) MAPTUSP30
SCHEMBL212260 0.89 EPHX2 (0.32) MAPTUSP30
SCHEMBL212147 0.88 MAPT (0.42) MAPTTP53SMN1; SMN2USP30RORC

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 8 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-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
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.