SCHEMBL3173140

SCHEMBL3173140

CC(C)c1[nH][nH]c(=O)c1Cc1ccc(OCc2ccccc2)cc1OC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.40
FFAR1 O14842 1/20 0.39
PARP14 Q460N5 1/20 0.39
HPGD P15428 2/20 0.36
MAOB P27338 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
GRM5 P41594 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PDE9A O76083 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36

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
SCHEMBL5645563 0.83 KAT2B (0.44) KAT2BPDE9APDE1APDE1BPDE1C
SCHEMBL2290928 0.79 S1PR1 (0.44) FFAR1MAOBNPC1RAB9AMAOA
SCHEMBL3172039 0.76 FFAR1 (0.46) KAT2BFFAR1PARP14HPGDMAOB
SCHEMBL4857375 0.75 PDE9A (0.56) ALDH1A1RAB9APDE9APDE1APDE1B
SCHEMBL3173144 0.75 FFAR1 (0.44) KAT2BFFAR1PARP14HPGDMAOB
SCHEMBL4181067 0.74 HPGD (0.45) HPGDMAOBSMN1; SMN2LMNA
SCHEMBL5644417 0.73 CARM1 (0.46) HPGDPDE9APDE1APDE1BPDE1C
SCHEMBL4180435 0.72 S1PR1 (0.36) PDE9APDE1APDE1BPDE1CDPYD
SCHEMBL3183511 0.71 MAOB (0.44) KAT2BFFAR1PARP14HPGDMAOB
SCHEMBL9096532 0.70 KAT2B (0.49) KAT2BFFAR1MAOBALDH1A1KDM4E

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 12 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-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-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
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 (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-20060166899-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof SLC5A1, SLC5A2, SULT2A1 KAT2B 4045/4885FFAR1 269/4885PARP14 2487/4885
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 KAT2B 2796/4885FFAR1 414/4885PARP14 1816/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 KAT2B 2796/4885FFAR1 414/4885PARP14 1816/4885
US-20080312153-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF SLC5A1, SLC5A2, SULT2A1 KAT2B 4045/4885FFAR1 269/4885PARP14 2487/4885

“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.