Diflunisal

Diflunisal

SCHEMBL625748

O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O.O=P(O)(O)O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Diflunisal. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 6/20 0.89
TTR P02766 2/20 0.89
DHFR P00374 2/20 0.89
CA1 P00915 2/20 0.89
CA2 P00918 2/20 0.89
KDM4E B2RXH2 1/20 0.89
MEN1 O00255 1/20 0.89
USP2 O75604 1/20 0.89
ALDH1A1 P00352 1/20 0.89
LMNA P02545 1/20 0.89
ALB P02768 1/20 0.89
HMGB1 P09429 1/20 0.89
HPGD P15428 1/20 0.89
CXCL12 P48061 1/20 0.89
KMT2A Q03164 1/20 0.89
HIF1A Q16665 1/20 0.89
SLC22A6 Q4U2R8 1/20 0.89
HSD17B10 Q99714 1/20 0.89
MCL1 Q07820 7/20 0.48
HNF4A P41235 1/20 0.47

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
Diflunisal SCHEMBL30509654 0.94 ACMSD (1.00) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL4337 0.94 ACMSD (1.00) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL3848363 0.94 ACMSD (1.00) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL29367380 0.94 ACMSD (1.00) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL28338853 0.93 ACMSD (0.97) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL20876816 0.93 ACMSD (0.97) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL1869144 0.93 ACMSD (0.97) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL11425421 0.93 ACMSD (0.97) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL28916416 0.93 ACMSD (0.97) ACMSDTTRDHFRCA1CA2
Diflunisal SCHEMBL28350701 0.90 ACMSD (0.91) ACMSDTTRDHFRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040203012-A1 Method of detecting and monitoring prostate and ovarian cancers MOUNT SINAI HOSPITAL (CA) 2004-10-14 US claimed
EP-1390756-A1 METHOD OF DETECTING AND MONITORING PROSTATE AND OVARIAN CANCERS MOUNT SINAI HOSPITAL (CA) 2004-02-25 EP claimed
WO-2002097438-A1 METHOD OF DETECTING AND MONITORING PROSTATE AND OVARIAN CANCERS MOUNT SINAI HOSPITAL (CA) 2002-12-05 WO claimed
WO-1998059073-A1 METHOD FOR DETECTION OF BREAST CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1998-12-30 WO claimed
EP-0883813-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS AND SERUM MDS Nordion Inc. (CA) 1998-12-16 EP claimed
US-5723302-A DETERMINING AMOUNT OF FREE PROSTATE-SPECIFIC ANTIGEN RELATIVE TO PROSTATE-SPECIFIC ANTIGEN-ANTICHYMOTRYPSIN COMPLEX IN SERUM SAMPLE NORDION INTERNATIONAL INC. (CA) 1998-03-03 US claimed
US-5688658-A DIAGNOSIS OF BREAST CANCER, FLUOROIMMUNOASSAY WITH ENZYME AMPLIFICATION NORDION INTERNATIONAL, INC. (CA) 1997-11-18 US claimed
WO-1997032215-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS AND SERUM MDS NORDION INC. (CA) 1997-09-04 WO claimed
EP-0698215-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS NORDION INTERNATIONAL, INC. (CA) 1996-02-28 EP claimed
WO-1994027152-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS NORDION INTERNATIONAL INC. (CA) 1994-11-24 WO claimed
US-10006921-B2 Markers of the male urogenital tract SINAI HEALTH SYSTEM (CA) 2018-06-26 US disclosed
US-9863005-B2 Endometrial phase or endometrial cancer biomarkers WALFISH, PAUL (CA) 2018-01-09 US disclosed
US-20170315125-A1 Methods For The Diagnosis Or Prognosis of Breast Cancer WALFISH PAUL (CA) 2017-11-02 US disclosed
EP-2567235-B1 METHOD FOR THE DIAGNOSIS OF EPITHELIAL CANCERS BY THE DETECTION OF EPICD POLYPEPTIDE WALFISH PAUL (CA) 2017-08-30 EP disclosed
US-20170138963-A1 MARKERS OF THE MALE UROGENITAL TRACT SINAI HEALTH SYS (CA) 2017-05-18 US disclosed
US-5688658-A DIAGNOSIS OF BREAST CANCER, FLUOROIMMUNOASSAY WITH ENZYME AMPLIFICATION NORDION INTERNATIONAL, INC. (CA) 1997-11-18 US disclosed
US-5679534-A PRENATAL EVALUATION OF FETAL PHENOTYPIC AND/OR GENOTYPIC DISORDERS; CONCENTRATION; ACCURACY DIAMANDIS ELEFTHERIOS P (CA) 1997-10-21 US disclosed
WO-1997032215-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS AND SERUM MDS NORDION INC. (CA) 1997-09-04 WO disclosed
EP-0698215-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS NORDION INTERNATIONAL, INC. (CA) 1996-02-28 EP disclosed
WO-1994027152-A1 DETECTION OF PROSTATE-SPECIFIC ANTIGEN IN BREAST TUMORS NORDION INTERNATIONAL INC. (CA) 1994-11-24 WO disclosed