SCHEMBL56645

SCHEMBL56645

NC(C(=O)[O-])c1cccc(C(=O)c2ccc(Br)cc2)c1.[Na+]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. 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
PTGS1 known ✓ P23219 3/20 0.43
PTGS2 known ✓ P35354 3/20 0.43
CA1 known ✓ P00915 2/20 0.42
CA2 known ✓ P00918 2/20 0.42
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 3/20 0.43
CXCR1 P25024 2/20 0.43
CXCR2 P25025 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
HSD17B10 Q99714 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
Water SCHEMBL57566 0.99 MEN1 (0.47) MEN1KMT2APTGS1PTGS2MAPT
SCHEMBL11471719 0.88 PTGS1 (0.55) MEN1KMT2APTGS1PTGS2MAPT
Water SCHEMBL10824628 0.87 PTGS1 (0.54) MEN1KMT2APTGS1PTGS2MAPT
Water SCHEMBL11467419 0.87 PTGS1 (0.54) MEN1KMT2APTGS1PTGS2MAPT
SCHEMBL11459880 0.86 PTGS1 (0.43) PTGS1PTGS2MAPTCXCR1CXCR2
Methane SCHEMBL11468969 0.85 PTGS1 (0.53) MEN1KMT2APTGS1PTGS2MAPT
SCHEMBL7531909 0.85 MEN1 (0.57) MEN1KMT2APTGS1PTGS2MAPT
SCHEMBL55801 0.85 MEN1 (0.54) MEN1KMT2APTGS1PTGS2MAPT
Potassium Ion SCHEMBL11730580 0.85 PTGS1 (0.55) MEN1KMT2APTGS1PTGS2MAPT
Water SCHEMBL11470792 0.84 SMN1; SMN2 (0.46) PTGS1PTGS2MAPTCXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108569975-B Preparation method of bromfenac sodium sesquihydrate 扬子江药业集团有限公司 2021-01-12 CN claimed
CN-113698308-B Synthesis method of bromfenac sodium 山东辰龙药业有限公司 2024-06-21 CN disclosed
CN-112239412-B Refining and preparation method of bromfenac sodium sesquihydrate 上海天慈中商药业有限公司 2024-05-24 CN disclosed
CN-117647609-A Method for detecting residual solvent of bromfenac sodium 辰欣药业股份有限公司 2024-03-05 CN disclosed
CN-109608351-B Preparation method of bromfenac sodium 合肥久诺医药科技有限公司 2021-06-01 CN disclosed
US-20200360326-A1 Aqueous Liquid Composition Containing 2-Amino-3-(4-Bromobenzoyl)Phenylacetic Acid BAUSCH & LOMB INCORPORATED 2020-11-19 US disclosed
CN-111712238-A Eye drops containing 2-amino-3- (4-bromobenzoyl) phenylacetic acid or its salt 参天制药株式会社 2020-09-25 CN disclosed
EP-2919755-B1 AQUEOUS LIQUID COMPOSITION CONTAINING 2-AMINO-3-(4-BROMOBENZOYL)PHENYLACETIC ACID BAUSCH & LOMB (US) 2018-02-21 EP disclosed
US-9561277-B2 Aqueous liquid preparation containing 2-amino-3-(4-bromobenzoyl)phenylacetic acid SENJU PHARMACEUTICAL CO., LTD. (JP) 2017-02-07 US disclosed
EP-2653159-B1 BROMFENAC ORGANIC SALTS AND PREPARATION METHOD, COMPOSITION AND USE THEREOF SHENYANG XINGQI PHARMACEUTICAL CO LTD (CN) 2016-06-29 EP disclosed
EP-1808170-B1 AQUEOUS EYE DROPS WITH ACCELERATED INTRAOCULAR MIGRATION SENJU PHARMA CO (JP) 2011-08-17 EP disclosed
US-20110054031-A1 Ophthalmic NSAIDS as Adjuvants ISTA PHARMACEUTICALS, INC. (US) 2011-03-03 US disclosed
EP-2247289-A2 OPHTHALMIC NSAIDS AS ADJUVANTS Ista Pharmaceuticals (US) 2010-11-10 EP disclosed
WO-2009105534-A2 OPHTHALMIC NSAIDS AS ADJUVANTS ISTA PHARMACEUTICALS (US) 2009-08-27 WO disclosed
EP-1586316-B1 AQUEOUS LIQUID PREPARATION CONTAINING 2-AMINO-3-(4-BROMOBENZOYL)PHENYLACETIC ACID SENJU PHARMA CO (JP) 2008-04-30 EP disclosed
US-20070287749-A1 BROMFENAC OPHTHALMIC FORMULATIONS AND METHODS OF USE ISTA PHARMACEUTICALS, INC. (US) 2007-12-13 US disclosed
EP-1808170-A1 AQUEOUS EYE DROPS WITH ACCELERATED INTRAOCULAR MIGRATION Senju Pharmaceutical Co., Ltd. (JP) 2007-07-18 EP disclosed
US-20070021507-A1 Aqueous eye drops with accelerated intraocular migration SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 US disclosed
US-20050239895-A1 Aqueous liquid preparation containing 2-amino-3-(4-bromobenzoyl)phenylacetic acid SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-10-27 US disclosed
EP-1586316-A1 AQUEOUS LIQUID PREPARATION CONTAINING 2-AMINO-3-(4-BROMOBENZOYL)PHENYLACETIC ACID Senju Pharmaceutical Co., Ltd. (JP) 2005-10-19 EP 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 (5 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-20070021507-A1 Aqueous eye drops with accelerated intraocular migration AADAT, SLC43A1, IL6 PTGS1 74/4885PTGS2 145/4885CA1 3134/4885
US-20200360326-A1 Aqueous Liquid Composition Containing 2-Amino-3-(4-Bromobenzoyl)Phenylacetic Acid AADAT, UACA, IL4 PTGS1 549/4885PTGS2 377/4885CA1 1788/4885
US-20110054031-A1 Ophthalmic NSAIDS as Adjuvants VEGFA, ALOX5, KDR PTGS1 15/4885PTGS2 26/4885CA1 4320/4885
US-20070287749-A1 BROMFENAC OPHTHALMIC FORMULATIONS AND METHODS OF USE TRPC3, AADAC, FFAR3 PTGS1 199/4885PTGS2 144/4885CA1 4309/4885
US-20050239895-A1 Aqueous liquid preparation containing 2-amino-3-(4-bromobenzoyl)phenylacetic acid PAOX, FFAR2, FFAR3 PTGS1 149/4885PTGS2 60/4885CA1 4513/4885

“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.