SCHEMBL2290928

SCHEMBL2290928

Cc1cc(OCc2ccccc2)ccc1Cc1c(C(C)C)[nH][nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
DPYD Q12882 1/20 0.42
MAOB P27338 6/20 0.41
MAOA P21397 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
ACHE P22303 1/20 0.40
IP6K1 Q92551 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL4173956 0.91 S1PR1 (0.37) S1PR1S1PR5DPYDMAOBMAOA
SCHEMBL4180435 0.90 S1PR1 (0.36) S1PR1S1PR5DPYDL3MBTL1PKM
SCHEMBL4181067 0.83 HPGD (0.45) MAOBL3MBTL1PKM
SCHEMBL4169544 0.81 S1PR1 (0.43) S1PR1S1PR5DPYDMAOBMAOA
SCHEMBL3173140 0.79 KAT2B (0.40) DPYDMAOBMAOANPC1RAB9A
SCHEMBL5643855 0.77 DAO (0.43) DPYDMAOBPKMNPC1RAB9A
SCHEMBL2284655 0.77 S1PR1 (0.46) S1PR1S1PR5DPYDMAOBMAOA
SCHEMBL2292345 0.75 DAO (0.45)
SCHEMBL12158512 0.73 S1PR1 (0.59) S1PR1S1PR5MAOBMAOAL3MBTL1
SCHEMBL4170488 0.73 L3MBTL1 (0.43) L3MBTL1PKMNPC1RAB9ATDP1

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
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
EP-1864993-B1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE KISSEI PHARMACEUTICAL (JP) 2012-05-16 EP disclosed
US-8022192-B2 Process for production of glucopyranosyloxypyrazole derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20110201793-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-18 US disclosed
EP-1544208-B1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2010-05-26 EP disclosed
US-7655632-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-02-02 US disclosed
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD (JP) 2009-08-13 US disclosed
US-20090062518-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD, (JP) 2009-03-05 US disclosed
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7375087-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
EP-1864993-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2007-12-12 EP disclosed
US-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-07-27 US disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 EP disclosed
EP-1544208-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-22 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 (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-20110201793-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE GCGR, UGGT1, GCKR S1PR1 996/4885S1PR5 1338/4885DPYD 1035/4885
US-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof SLC5A1, SLC5A2, SULT2A1 S1PR1 896/4885S1PR5 1136/4885DPYD 985/4885
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885DPYD 1266/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885DPYD 1266/4885
US-20090062518-A1 PROCESS FOR PRODUCTION OF GLUCOPYRANOSYLOXYPYRAZOLE DERIVATIVE GCGR, UGGT1, GCKR S1PR1 996/4885S1PR5 1338/4885DPYD 1035/4885
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF SLC5A1, SLC5A2, SULT2A1 S1PR1 896/4885S1PR5 1136/4885DPYD 985/4885

“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.