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SCHEMBL211874

SCHEMBL211874

CN(C(=O)NCc1cccc(F)c1Cl)[C@H](COC(=O)Nc1cc(-c2ccccc2)on1)C[C@H](O)COP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MAPT P10636 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PIN1 Q13526 2/20 0.31
▸ THRB P10828 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 2/20 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
SCHEMBL2725610 1.00 SCD (0.33) SCDSCD5KDM4ECYP1A2CYP2D6
SCHEMBL2725768 0.95 KDM4E (0.31) KDM4EMAPTALDH1A1TP53MAPK1
SCHEMBL2724874 0.95 MAPK1 (0.36) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL212330 0.95 KDM4E (0.31) KDM4EMAPTALDH1A1TP53MAPK1
SCHEMBL210391 0.95 MAPK1 (0.36) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL2725726 0.94 PIN1 (0.37) SCDSCD5KDM4ECYP1A2CYP2D6
SCHEMBL212739 0.94 PIN1 (0.37) SCDSCD5KDM4ECYP1A2CYP2D6
SCHEMBL211635 0.93 KDM4E (0.34) SCDSCD5KDM4ECYP1A2CYP2D6
SCHEMBL2725606 0.93 KDM4E (0.34) SCDSCD5KDM4ECYP1A2CYP2D6
SCHEMBL210192 0.92 CYP1A2 (0.35) SCDSCD5KDM4ECYP1A2CYP2D6

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 SCD 3288/4885SCD5 3908/4885KDM4E 3281/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCD 3288/4885SCD5 3908/4885KDM4E 3281/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 SCD 3288/4885SCD5 3908/4885KDM4E 3281/4885

“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.