Sugi Predict

Sugi Predict / Compounds / SCHEMBL211433

SCHEMBL211433

SCHEMBL211433

CN(C(=O)NCc1cccc(F)c1F)[C@@H](CCCC(=O)O)COC(=O)Nc1cc(-c2ccc(Br)cc2)on1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.33
▸ NPC1 O15118 4/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 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
SCHEMBL212861 0.94 KDM4E (0.38) RAB9ASMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL210987 0.94 FOLH1 (0.36) RAB9ALMNAL3MBTL1ALDH1A1POLB
SCHEMBL2725869 0.94 MAPT (0.34) RAB9ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL212065 0.94 MAPT (0.33) RAB9ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL212596 0.90 MAOB (0.35) RAB9ALMNAL3MBTL1ALDH1A1POLB
SCHEMBL2724049 0.88 SCD5 (0.34) RAB9ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL2725422 0.88 KDM4E (0.37) RAB9ASMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL2724087 0.87 NPC1 (0.34) RAB9ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL211432 0.87 ALDH1A1 (0.33) RAB9ASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL211535 0.87 HIF1A (0.38) RAB9ASMN1; SMN2LMNAL3MBTL1ALDH1A1

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 RAB9A 2065/4885SMN1; SMN2 252/4885LMNA 216/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885SMN1; SMN2 252/4885LMNA 216/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 RAB9A 2065/4885SMN1; SMN2 252/4885LMNA 216/4885

“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.