SCHEMBL4170886

SCHEMBL4170886

NC(=O)CCN(CCCBr)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.54
PAX8 Q06710 1/20 0.54
LTA4H P09960 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4173945 0.88 CCR6 (0.59) CCR6PAX8LTA4HLMNAALDH1A1
SCHEMBL9142898 0.83 CCR6 (0.56) CCR6PAX8LMNAALDH1A1TDP1
SCHEMBL264989 0.81 CCR6 (0.58) CCR6PAX8LMNAALDH1A1TDP1
SCHEMBL7098106 0.79 CCR6 (0.45) CCR6PAX8LTA4HALDH1A1
SCHEMBL21326213 0.78 CCR6 (0.56) CCR6PAX8LMNAALDH1A1TDP1
SCHEMBL31629174 0.78 CCR6 (0.62) CCR6PAX8LMNAALDH1A1TDP1
SCHEMBL25243667 0.77 ALDH1A1 (0.46) CCR6PAX8LTA4HLMNAALDH1A1
SCHEMBL759516 0.77 CCR6 (0.66) CCR6PAX8ALDH1A1TDP1MAPK1
SCHEMBL21235881 0.77 CCR6 (0.52) CCR6PAX8ALDH1A1TSHRSMN1; SMN2
SCHEMBL1896919 0.76 ALDH1A1 (0.49) CCR6PAX8ALDH1A1TDP1MAPK1

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 10 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
CN-100413878-C Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2008-08-27 CN disclosed
US-20080139484-A1 1(Beta-D-Glycopyranosyl)-3-Substituted Nitrogenous Heterocyclic Compound, Medicinal Composition Containing the Same, and Medicinal Use Thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-06-12 US disclosed
EP-1803729-A1 1-( -D-GLYCOPYRANOSYL)-3-SUBSTITUTED NITROGENOUS HETEROCYCLIC COMPOUND, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-07-04 EP 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
CN-1688597-A Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2005-10-26 CN 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 (3 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 CCR6 1320/4885PAX8 3252/4885LTA4H 3268/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 CCR6 1320/4885PAX8 3252/4885LTA4H 3268/4885
US-20080139484-A1 1(Beta-D-Glycopyranosyl)-3-Substituted Nitrogenous Heterocyclic Compound, Medicinal Composition Containing the Same, and Medicinal Use Thereof SLC5A1, SLC5A2, UGGT1 CCR6 3114/4885PAX8 2905/4885LTA4H 4226/4885

“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.