SCHEMBL4925928

SCHEMBL4925928

CC(C(N)=O)c1ccc(C(=O)c2cccs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.76
PTGS1 P23219 5/20 0.76
PTGS2 P35354 5/20 0.76
ALDH1A1 P00352 3/20 0.76
CYP2C9 P11712 2/20 0.76
LMNA P02545 1/20 0.76
KDM4E B2RXH2 1/20 0.76
RXFP1 Q9HBX9 1/20 0.76
HTT P42858 1/20 0.59
HPGDS O60760 1/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TSHR P16473 1/20 0.51
EPHX1 P07099 1/20 0.47
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL11703369 1.00 HPGD (0.76) HPGDPTGS1PTGS2ALDH1A1CYP2C9
SCHEMBL15486632 0.91 HPGD (0.64) HPGDPTGS1PTGS2ALDH1A1CYP2C9
(R)-Suprofen SCHEMBL1122667 0.86 PTGS2 (1.00) HPGDPTGS1PTGS2ALDH1A1CYP2C9
(S)-Suprofen SCHEMBL5102821 0.86 PTGS2 (1.00) HPGDPTGS1PTGS2ALDH1A1CYP2C9
SCHEMBL12286991 0.86 HPGD (0.83) HPGDPTGS1PTGS2ALDH1A1CYP2C9
Suprofen SCHEMBL23792 0.86 PTGS2 (1.00) HPGDPTGS1PTGS2ALDH1A1CYP2C9
SCHEMBL3805719 0.85 HPGD (0.76) HPGDPTGS1PTGS2ALDH1A1CYP2C9
SCHEMBL11706983 0.85 HPGD (0.76) HPGDPTGS1PTGS2ALDH1A1CYP2C9
Suprofen SCHEMBL9621599 0.85 PTGS2 (0.97) HPGDPTGS1PTGS2ALDH1A1CYP2C9
SCHEMBL13875307 0.85 HPGD (0.76) HPGDPTGS1PTGS2ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1913011-B1 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS INC (US) 2016-11-02 EP disclosed
EP-1789553-B1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE ALNYLAM PHARMACEUTICALS INC (US) 2014-03-26 EP disclosed
US-8470988-B2 Single-stranded and double-stranded oligonucleotides comprising a 2-arylpropyl moiety ALNYLAM PHARMACEUTICALS, INC. (US) 2013-06-25 US disclosed
US-8013136-B2 Oligonucleotides comprising a non-phosphate backbone linkage ALNYLAM PHARMACEUTICALS, INC. (US) 2011-09-06 US disclosed
US-7893224-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20100197899-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A 2-ARYLPROPYL MOIETY ALNYLAM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-7723512-B2 Oligonucleotides comprising a non-phosphate backbone linkage ALNYLAM PHARMACEUTICALS (US) 2010-05-25 US disclosed
US-20090318676-A1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-17 US disclosed
US-7632932-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-15 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-6646003-B2 Topically administering to the eye of the patient a therapeutically effective amount of flurbiprofen amide derivative and ketorolac amide derivative to treat ophthalmic angiogenesis- related disorder of the posterior segment of eye ALCON, INC. (CH) 2003-11-11 US disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed
US-20020183376-A1 Method of treating ocular inflammatory and angiogenesis-related disorders of the posterior segment of the eye using an amide derivative of flurbiprofen or ketorolac ALCON, INC. 2002-12-05 US disclosed
WO-2002078681-A2 METHOD OF TREATING OCULAR INFLAMMATORY AND ANGIOGENESIS-RELATED DISORDERS USING AN AMIDE DERIVATIVE OF FLUBIPROFEN OR KETOROLAC ALCON, INC. (CH) 2002-10-10 WO disclosed
US-4064132-A ANTIINFLAMMATORY AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1977-12-20 US disclosed
US-4060528-A ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-11-29 US disclosed
US-4035376-A ESTERS, AMIDES, HYDROXAMIC ACIDS, ANTIINFLAMMATORY JANSSEN PHARMACEUTICA N.V. (BE) 1977-07-12 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 (6 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-20020183376-A1 Method of treating ocular inflammatory and angiogenesis-related disorders of the posterior segment of the eye using an amide derivative of flurbiprofen or ketorolac PTGIR, AADAC, PTGS1 HPGD 81/4885PTGS1 3/4885PTGS2 10/4885
US-20100197899-A1 SINGLE-STRANDED AND DOUBLE-STRANDED OLIGONUCLEOTIDES COMPRISING A 2-ARYLPROPYL MOIETY SAAL1, OPRL1, ANXA2 HPGD 1670/4885PTGS1 143/4885PTGS2 46/4885
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE DUT, NOP58, DPYD HPGD 1683/4885PTGS1 3450/4885PTGS2 3642/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 HPGD 2310/4885PTGS1 4228/4885PTGS2 3852/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT HPGD 2709/4885PTGS1 3946/4885PTGS2 4060/4885
US-20090318676-A1 OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE DUT, PNP, RNGTT HPGD 3995/4885PTGS1 4587/4885PTGS2 4607/4885

“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.