SCHEMBL532763

SCHEMBL532763

O=C(Oc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.62
ACR P10323 3/20 0.62
KIF11 P52732 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
GSK3B P49841 2/20 0.46
PTPN1 P18031 1/20 0.46
TP53 P04637 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
PARP10 Q53GL7 1/20 0.44
SRD5A2 P31213 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL28639038 0.91 PRSS1 (0.71) PRSS1ACRKIF11MAPTTDP1
SCHEMBL9682438 0.91 PRSS1 (0.71) PRSS1ACRKIF11MAPTTDP1
SCHEMBL13530980 0.87 MAPT (0.54) PRSS1ACRNPC1MAPTTDP1
SCHEMBL14640734 0.85 PRSS1 (0.64) PRSS1ACRKIF11MAPTTDP1
SCHEMBL28641893 0.85 PRSS1 (0.64) PRSS1ACRKIF11MAPTTDP1
SCHEMBL532755 0.85 TP53 (0.47) PRSS1ACRNPC1MAPTTDP1
SCHEMBL14640390 0.85 PRSS1 (0.64) PRSS1ACRKIF11MAPTTDP1
SCHEMBL8074121 0.85 PRSS1 (0.64) PRSS1ACRKIF11MAPTTDP1
SCHEMBL21771902 0.83 MAPT (0.71) PRSS1ACRKIF11MAPTTDP1
SCHEMBL8072562 0.83 LMNA (0.63) PRSS1ACRKIF11MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1511713-B8 COMPOUNDS THAT ABROGATE DNA-DAMAGE-INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT THE ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO LTD (JP) 2012-02-08 EP claimed
EP-1511713-B1 COMPOUNDS THAT ABROGATE DNA-DAMAGE-INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT THE ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO LTD (JP) 2011-08-17 EP claimed
US-7652042-B2 Compounds that abrogate DNA damage induced cell cycle G2 checkpoint and/or augment anti-cancer activity of DNA-damaging treatments CANBAS CO., LTD. (JP) 2010-01-26 US claimed
CN-100577631-C The cell cycle G2 outpost of the tax office that the elimination dna damage causes and/or the compound that strengthens dna damage treatment antitumour activity CANBAS CO LTD 2010-01-06 CN claimed
US-7629364-B2 Compounds that abrogate DNA-damage-induced cell cycle G2 checkpoint and/or augment anti-cancer activity of DNA-damaging treatments CANBAS CO., LTD. (JP) 2009-12-08 US claimed
US-20080293137-A1 COMPOUNDS THAT ABROGATE DNA DAMAGE INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO., LTD. (JP) 2008-11-27 US claimed
US-20080227827-A1 COMPOUNDS THAT ABROGATE DNA DAMAGE INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO., LTD. (JP) 2008-09-18 US claimed
US-7407985-B2 Compounds that abrogate DNA damage induced cell cycle G2 checkpoint and/or augment anti-cancer activity of DNA-damaging treatments CANBAS CO., LTD. (JP) 2008-08-05 US claimed
JP-2007501608-A 2007-02-01 JP claimed
US-20060122269-A1 Compounds that abrogate DNA damage induced cell cycle G2 checkpoint and/or augment anti-cancer activity of DNA-damaging treatments CANBAS CO., LTD. (JP) 2006-06-08 US claimed
EP-1664340-A1 SENSITIVITY TEST TO PREDICT EFFICACY OF ANTI-CANCER THERAPIES Canbas Co., Ltd. (JP) 2006-06-07 EP claimed
US-7030111-B2 Compounds that abrogate DNA-damage-induced cell cycle G2 checkpoint and/or augment the anti-cancer activity of DNA damaging treatments CANBAS CO., LTD. (JP) 2006-04-18 US claimed
US-20060014157-A1 Sensitivity test to predict efficacy of anti-cancer therapies CANBAS CO., LTD. (JP) 2006-01-19 US claimed
CN-1671644-A Compounds that abrogate DNA-damage-induced cell cycle G2 checkpoint and/or augment the anti-cancer activity of DNA-damaging treatments CANBAS CO LTD (JP) 2005-09-21 CN claimed
EP-1511713-A2 COMPOUNDS THAT ABROGATE DNA-DAMAGE-INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT THE ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS Canbas Co. Ltd. (JP) 2005-03-09 EP claimed
WO-2005014856-A1 SENSITIVITY TEST TO PREDICT EFFICACY OF ANTI-CANCER THERAPIES CANBAS CO., LTD. (JP) 2005-02-17 WO claimed
US-20040198727-A1 Compounds that abrogate DNA-damage-induced cell cycle G2 checkpoint and/or augment the anti-cancer activity of DNA damaging treatments CANBAS CO., LTD. (JP) 2004-10-07 US claimed
WO-2003104181-A2 COMPOUNDS THAT ABROGATE DNA-DAMAGE-INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT THE ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO. LTD. (JP) 2003-12-18 WO claimed
EP-1511713-B8 COMPOUNDS THAT ABROGATE DNA-DAMAGE-INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT THE ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO LTD (JP) 2012-02-08 EP disclosed
WO-2003104181-A2 COMPOUNDS THAT ABROGATE DNA-DAMAGE-INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT THE ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CANBAS CO. LTD. (JP) 2003-12-18 WO 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 (4 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-20080293137-A1 COMPOUNDS THAT ABROGATE DNA DAMAGE INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CDC25C, CHEK1, CDC25A PRSS1 4017/4885ACR 2467/4885KIF11 1108/4885
US-20040198727-A1 Compounds that abrogate DNA-damage-induced cell cycle G2 checkpoint and/or augment the anti-cancer activity of DNA damaging treatments CDC25C, CHEK1, DDB1 PRSS1 4149/4885ACR 2581/4885KIF11 1153/4885
US-20080227827-A1 COMPOUNDS THAT ABROGATE DNA DAMAGE INDUCED CELL CYCLE G2 CHECKPOINT AND/OR AUGMENT ANTI-CANCER ACTIVITY OF DNA-DAMAGING TREATMENTS CDC25C, CHEK1, CDC25A PRSS1 4017/4885ACR 2467/4885KIF11 1108/4885
US-20060122269-A1 Compounds that abrogate DNA damage induced cell cycle G2 checkpoint and/or augment anti-cancer activity of DNA-damaging treatments CDC25C, CHEK1, CDC25A PRSS1 4017/4885ACR 2467/4885KIF11 1108/4885

“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.