Sugi Predict

Sugi Predict / Compounds / SCHEMBL212065

SCHEMBL212065

SCHEMBL212065

Cc1ccc(-c2cc(NC(=O)OC[C@H](CCCC(=O)O)N(C)C(=O)NCc3cccc(F)c3F)no2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NPC1 O15118 6/20 0.33
▸ RAB9A P51151 5/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 3/20 0.31
▸ FOLH1 Q04609 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ CACNA1B Q00975 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 0.95 KDM4E (0.38) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL210987 0.95 FOLH1 (0.36) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2724087 0.94 NPC1 (0.34) MAPTMEN1KMT2AALDH1A1XBP1
SCHEMBL211433 0.94 RAB9A (0.34) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL212596 0.90 MAOB (0.35) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2724049 0.89 SCD5 (0.34) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2725422 0.88 KDM4E (0.37) MAPTMEN1KMT2ALMNAMAOB
SCHEMBL211535 0.87 HIF1A (0.38) MAPTKMT2AALDH1A1LMNAMAOB
SCHEMBL4350864 0.87 SCD5 (0.35) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL2725869 0.87 MAPT (0.34) MAPTMEN1KMT2AALDH1A1LMNA

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 530/4885MEN1 665/4885KMT2A 2418/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885MEN1 665/4885KMT2A 2418/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 MAPT 530/4885MEN1 665/4885KMT2A 2418/4885

“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.