SCHEMBL21773447

SCHEMBL21773447

COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc(CBr)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 6/20 0.59
TAS2R14 Q9NYV8 4/20 0.56
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
MMP8 P22894 3/20 0.52
MMP13 P45452 3/20 0.52
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 1/20 0.50
APLNR P35414 1/20 0.48
PTGES O14684 1/20 0.47
TAS2R8 Q9NYW2 1/20 0.47
CXCR3 P49682 1/20 0.47

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
SCHEMBL2109904 0.84 TAS2R14 (0.68) TAS2R14APLNRPTGESTAS2R8CXCR3
SCHEMBL15208353 0.83 BMP1 (0.59) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL9390270 0.77 PKM (0.70) APLNR
SCHEMBL6322381 0.77 TAS2R14 (0.64) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL6325058 0.77 TAS2R14 (0.61) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL29956254 0.76 TAS2R14 (0.53) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL6324153 0.75 TAS2R14 (0.61) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL6330875 0.75 TAS2R14 (0.58) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL6323929 0.75 TAS2R14 (0.58) BMP1TAS2R14MMP2MMP9MMP8
SCHEMBL6323924 0.75 TAS2R14 (0.58) BMP1TAS2R14MMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
US-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-03-05 US disclosed
CN-110709385-A Haloallylamine pyrazole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2020-01-17 CN 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 (1 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-20200069648-A1 HALOALLYLAMINE PYRAZOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF LOX, DAO, AADAC BMP1 2101/4885TAS2R14 4581/4885MMP2 113/4885

“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.