SCHEMBL4173446

SCHEMBL4173446

OCc1ccc(OCCCOCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
EPHX2 P34913 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TSHR P16473 2/20 0.47
FFAR1 O14842 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL4165517 0.97 L3MBTL1 (0.55) LTA4HEPHX2TDP1L3MBTL1LMNA
SCHEMBL4162422 0.92 LTA4H (0.52) LTA4HEPHX2TDP1L3MBTL1LMNA
SCHEMBL10758411 0.87 LTA4H (0.62) LTA4HEPHX2TDP1L3MBTL1FFAR1
SCHEMBL10269398 0.86 LTA4H (0.67) LTA4HEPHX2TSHRFFAR1HRH3
SCHEMBL2658063 0.83 L3MBTL1 (0.51) LTA4HEPHX2TDP1L3MBTL1LMNA
SCHEMBL4664895 0.83 TDP1 (0.58) LTA4HEPHX2TDP1L3MBTL1LMNA
SCHEMBL126452 0.82 LMNA (0.70) LTA4HEPHX2L3MBTL1LMNACYP1A2
SCHEMBL8618329 0.82 LTA4H (0.67) LTA4HL3MBTL1HDAC6TSHRFFAR1
SCHEMBL16902877 0.82 HRH3 (0.59) LTA4HL3MBTL1LMNACYP1A2HIF1A
SCHEMBL14397026 0.81 APP (0.58) TDP1L3MBTL1LMNACYP1A2PTGS1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 US disclosed
US-10239829-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
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 (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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 LTA4H 3268/4885EPHX2 4369/4885TDP1 4297/4885
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 LTA4H 2218/4885EPHX2 2830/4885TDP1 4552/4885
US-10239829-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 LTA4H 2532/4885EPHX2 2845/4885TDP1 4534/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 LTA4H 3268/4885EPHX2 4369/4885TDP1 4297/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 LTA4H 2201/4885EPHX2 2809/4885TDP1 4549/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 LTA4H 2532/4885EPHX2 2807/4885TDP1 4534/4885

“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.