SCHEMBL4355654

SCHEMBL4355654

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCN(C(=O)O)CC1)COC(=O)Nc1cc(-c2cccc(F)c2)no1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
FAAH O00519 1/20 0.32
USP30 Q70CQ3 6/20 0.31
EPHX2 P34913 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
MAPK1 P28482 1/20 0.30
GHSR Q92847 1/20 0.30
CHRM3 P20309 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL4343016 0.95 MAPT (0.37) MAPTUSP30ITGB3ITGAVLMNA
SCHEMBL2725335 0.95 CHRM3 (0.33) MAPTFAAHUSP30EPHX2MAPK1
SCHEMBL2725975 0.94 MAPT (0.32) MAPTFAAHUSP30EPHX2ITGB3
SCHEMBL212260 0.93 EPHX2 (0.32) MAPTFAAHUSP30EPHX2MAPK1
SCHEMBL212258 0.93 EPHX2 (0.32) MAPTFAAHUSP30EPHX2MAPK1
SCHEMBL212259 0.93 EPHX2 (0.32) MAPTFAAHUSP30EPHX2MAPK1
SCHEMBL2836484 0.92 MAPT (0.32) MAPTUSP30EPHX2
SCHEMBL210350 0.92 GPR119 (0.34) MAPTFAAH
SCHEMBL214458 0.92 GPR119 (0.34) MAPTFAAH
SCHEMBL2726185 0.91 MAPT (0.36) MAPTUSP30ITGB3ITGAVALDH1A1

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 5 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-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 530/4885FAAH 3841/4885USP30 2381/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885FAAH 3841/4885USP30 2381/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885FAAH 3841/4885USP30 2381/4885

“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.