SCHEMBL532755

SCHEMBL532755

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
EPHX2 P34913 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PRSS1 P07477 2/20 0.46
ACR P10323 1/20 0.46
TRPV1 Q8NER1 3/20 0.45
PARP10 Q53GL7 1/20 0.45
NPC1 O15118 2/20 0.44
THRB P10828 1/20 0.44
F2 P00734 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL13530957 0.89 TP53 (0.47) TP53HSD17B10PRSS1ACRTRPV1
SCHEMBL3031192 0.86 RAB9A (0.59) EPHX2TRPV1NPC1RAB9AMAPT
SCHEMBL532763 0.85 PRSS1 (0.62) TP53HSD17B10PRSS1ACRTRPV1
SCHEMBL14145709 0.84 AURKA (0.49) EPHX2HSD17B10PRSS1ACRTRPV1
SCHEMBL13560798 0.84 AURKA (0.49) EPHX2HSD17B10PRSS1ACRTRPV1
SCHEMBL14003271 0.83 PRSS1 (0.56) TP53EPHX2HSD17B10PRSS1ACR
SCHEMBL12473427 0.83 LMNA (0.60) PRSS1ACRNPC1RAB9AMAPT
SCHEMBL532894 0.82 NPC1 (0.57) TP53HSD17B10PRSS1ACRPARP10
SCHEMBL533375 0.82 NPC1 (0.57) TP53HSD17B10PRSS1ACRPARP10
SCHEMBL13530980 0.82 MAPT (0.54) TP53HSD17B10PRSS1ACRPARP10

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 38 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 TP53 23/4885EPHX2 2238/4885HSD17B10 3529/4885
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 TP53 19/4885EPHX2 2294/4885HSD17B10 3476/4885
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 TP53 23/4885EPHX2 2238/4885HSD17B10 3529/4885
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 TP53 23/4885EPHX2 2238/4885HSD17B10 3529/4885

“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.