SCHEMBL2880801

SCHEMBL2880801

CCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 7/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
AR P10275 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
HSD11B1 P28845 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 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
SCHEMBL13199136 0.85 TSHR (0.49) ALDH1A1POLBLMNAKDM4E
SCHEMBL27370387 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL664917 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL395369 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL11841515 0.83 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL15271983 0.83 GLO1 (0.48) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL31079281 0.82 ALDH1A1 (0.52) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL18053923 0.82 ALDH1A1 (0.55) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL11785712 0.82 ALDH1A1 (0.55) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL22838063 0.82 ALDH1A1 (0.58) ALDH1A1POLBMAPTPKMKMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed
EP-3205645-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-23 EP disclosed
US-9957251-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-01 US disclosed
EP-3205645-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-16 EP disclosed
US-20170044132-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
US-8802886-B2 Method for producing aromatic difluoroacetic acid ester CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-8802886-B2 Method for producing aromatic difluoroacetic acid ester CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-12 US disclosed
US-8802886-B2 Method for producing aromatic difluoroacetic acid ester CENTRAL GLASS COMPANY, LIMITED (JP) 2014-08-12 US disclosed
EP-2502898-A1 PREPARATION METHOD FOR AROMATIC DIFLUOROACETIC ACID ESTER Central Glass Company, Limited (JP) 2012-09-26 EP disclosed
US-20120220795-A1 METHOD FOR PRODUCING AROMATIC DIFLUOROACETIC ACID ESTER CENTRAL GLASS COMPANY, LIMITED (JP) 2012-08-30 US disclosed
US-20120220795-A1 METHOD FOR PRODUCING AROMATIC DIFLUOROACETIC ACID ESTER CENTRAL GLASS COMPANY, LIMITED (JP) 2012-08-30 US disclosed
EP-1768984-B1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2010-10-20 EP disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1768984-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
WO-2006036266-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-04-06 WO disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 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 (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-20120220795-A1 METHOD FOR PRODUCING AROMATIC DIFLUOROACETIC ACID ESTER DDC, AADAC, FNTB ALDH1A1 84/4885POLB 1409/4885MAPT 3444/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC ALDH1A1 3035/4885POLB 1199/4885MAPT 1402/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC ALDH1A1 2795/4885POLB 1108/4885MAPT 1512/4885
US-20170044132-A1 HETEROCYCLIC COMPOUND CDK19, CDK9, CDK8 ALDH1A1 3859/4885POLB 1011/4885MAPT 2330/4885

“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.