Sugi Predict

Sugi Predict / Compounds / SCHEMBL9910779

SCHEMBL9910779

SCHEMBL9910779

CC(C)c1csc(C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.36
▸ KIF11 P52732 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ C1S P09871 1/20 0.34
▸ PTPN5 P54829 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CCR4 P51679 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ MAPK14 Q16539 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 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
SCHEMBL20033994 0.78 GABRA1 (0.34) MAPTGABRA1GABRB2TSHR
SCHEMBL26875918 0.77 KMT2A (0.39) POLBL3MBTL1GABRA1GABRB2ALDH1A1
SCHEMBL9911846 0.77 PLK1 (0.39) PLK1KIF11POLBC1SPIM1
SCHEMBL544269 0.73 L3MBTL1 (0.42) PLK1KIF11POLBC1SPIM1
SCHEMBL20466868 0.72 GCGR (0.39) C1SL3MBTL1MAPTALDH1A1
SCHEMBL25094149 0.72 — —
SCHEMBL21479553 0.72 — —
SCHEMBL26713885 0.69 — —
SCHEMBL8134144 0.68 GABRA1 (0.42) MAPTGABRA1GABRB2ALDH1A1TSHR
SCHEMBL2802756 0.67 HTR6 (0.45) PLK1KIF11POLBC1SPIM1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648094-B2 IAP BIR domain binding compounds PHARMASCIENCE, INC. (CA) 2014-02-11 — — US disclosed
US-8575113-B2 BIR domain binding compounds PHARMASCIENCE INC. (CA) 2013-11-05 — — US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 — — US disclosed
US-20120195915-A1 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-08-02 — — US disclosed
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2012-06-07 — — US disclosed
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2012-06-07 — — US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 — — US disclosed
US-8163792-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2012-04-24 — — US disclosed
US-8063095-B2 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents PHARMASCIENCE INC. (CA) 2011-11-22 — — US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 — — US disclosed
US-7772177-B2 BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2010-08-10 — — US disclosed
US-7589118-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-09-15 — — US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 — — US disclosed
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS INC. (CA) 2009-07-30 — — US disclosed
US-7547724-B2 IAP BIR domain binding compounds AEGERA THERPEUTICS, INC. 2009-06-16 — — US disclosed
US-20080014207-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2008-01-17 — — US disclosed
US-20070219140-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-09-20 — — US disclosed
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — US disclosed
US-20070093429-A1 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. (CA) 2007-04-26 — — 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 (8 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-20070093429-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PLK1 931/4885KIF11 3242/4885POLB 1247/4885
US-20080014207-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PLK1 931/4885KIF11 3242/4885POLB 1247/4885
US-20070093428-A1 Inhibitors of apoptosis proteins (IAP); antiproliferative agents; anticancer agents; death receptor agonist; BAD, BIRC5, BAX PLK1 441/4885KIF11 3080/4885POLB 1243/4885
US-20070219140-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC8 PLK1 868/4885KIF11 3335/4885POLB 1375/4885
US-20120141496-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PLK1 874/4885KIF11 3267/4885POLB 1880/4885
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 PLK1 484/4885KIF11 3306/4885POLB 522/4885
US-20120195915-A1 IAP BIR domain binding compounds BIRC5, BIRC2, BIRC3 PLK1 1513/4885KIF11 2050/4885POLB 1884/4885
US-20090192140-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 PLK1 1513/4885KIF11 2050/4885POLB 1884/4885

“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.