SCHEMBL4180435

SCHEMBL4180435

Cc1cc(OCCCOCc2ccccc2)ccc1Cc1c(C(C)C)[nH][nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
DPYD Q12882 1/20 0.34
REN P00797 2/20 0.34
PLA2G7 Q13093 2/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
PKM P14618 1/20 0.33
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33

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 0.95 S1PR1 (0.37) S1PR1S1PR5L3MBTL1TDP1PPARG
SCHEMBL2290928 0.90 S1PR1 (0.44) S1PR1S1PR5L3MBTL1TDP1PPARG
SCHEMBL4170488 0.86 L3MBTL1 (0.43) L3MBTL1TDP1PPARGRENPKM
SCHEMBL4170750 0.83 L3MBTL1 (0.45) L3MBTL1TDP1PPARGREN
SCHEMBL4169393 0.80 PPARG (0.43) L3MBTL1TDP1PPARGRENPKM
SCHEMBL4176572 0.74 ALDH1A1 (0.41) L3MBTL1TDP1PPARAPLA2G7PDE9A
SCHEMBL4181067 0.74 HPGD (0.45) L3MBTL1PKM
SCHEMBL4173929 0.74 S1PR1 (0.46) S1PR1S1PR5L3MBTL1TDP1PPARG
SCHEMBL3173140 0.72 KAT2B (0.40) DPYDMCHR1SLC5A1SLC5A2PDE9A
SCHEMBL4169544 0.72 S1PR1 (0.43) S1PR1S1PR5L3MBTL1TDP1PPARG

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 6 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885L3MBTL1 745/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885L3MBTL1 745/4885

“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.