SCHEMBL4480349

SCHEMBL4480349

O=S(=O)(OS(c1ccccc1)(c1ccccc1)C1CCC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP13 P45452 3/20 0.37
MMP8 P22894 2/20 0.37
MMP1 P03956 1/20 0.37
ALOX15 P16050 1/20 0.37
NR1H3 Q13133 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 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
SCHEMBL64447 0.79 ALDH1A1 (0.40) ACHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL12275613 0.75 MMP8 (0.41) ALDH1A1MEN1KMT2AKDM4EMMP13
SCHEMBL37033 0.71 HTR6 (0.42) ALDH1A1KDM4EMMP13MMP8MMP1
SCHEMBL8847449 0.71 HTR6 (0.42) ALDH1A1KMT2AKDM4EMMP13MMP8
SCHEMBL7541817 0.69 HTR2A (0.56) ACHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL449882 0.69 LMNA (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL36458 0.68 HTR6 (0.39) ALDH1A1MEN1KMT2ANR1H3NPSR1
SCHEMBL36166 0.68 HTR6 (0.39) ALDH1A1MEN1KMT2ANR1H3NPSR1
SCHEMBL26961005 0.67 ACHE (0.47) ACHEALDH1A1MEN1KMT2AKDM4E
SCHEMBL11340011 0.67 GAA (0.43) ACHEALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
EP-1831178-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-7241792-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 US disclosed
WO-2006069242-A2 FUSED PYRAZOLE DERIVATIVES AND USES THEREOF IN METHODS OF TREATMENT OF METABOLIC-RELATED?DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2006-06-29 WO 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 ACHE 1707/4885ALDH1A1 794/4885MEN1 4780/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 ACHE 1707/4885ALDH1A1 794/4885MEN1 4780/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 ACHE 1707/4885ALDH1A1 794/4885MEN1 4780/4885

“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.