SCHEMBL19644249

SCHEMBL19644249

COC(=O)C1CCNc2cc(OC)ccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.40
MAPKAPK2 P49137 1/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
ADAM17 P78536 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
F12 P00748 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
HPGDS O60760 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 1/20 0.38
ALOX15 P16050 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
SCHEMBL22492406 0.89 F12 (0.47) MAPKAPK2F12ALDH1A1SMN1; SMN2HPGDS
SCHEMBL19644392 0.87 SIRT1 (0.43) MMP2MAPKAPK2MMP1MMP9ADAM17
SCHEMBL22864660 0.86 MAPK1 (0.39) MAPKAPK2MAPK1MTNR1A
SCHEMBL19643872 0.84 SLC6A2 (0.38) KMT2AF12ALDH1A1SMN1; SMN2
SCHEMBL31153470 0.83 SLC6A3 (0.39) F12
SCHEMBL19643171 0.80 HTR2A (0.40) KMT2AF12SMN1; SMN2
SCHEMBL30289956 0.80 F12 (0.47) F12
SCHEMBL2335872 0.80 F12 (0.47) F12
SCHEMBL6651570 0.76 HTR2C (0.48) MAPKAPK2MEN1KMT2A
SCHEMBL30480890 0.76 HTR2C (0.48) MAPKAPK2MEN1KMT2A

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
CN-109475530-B Aminoacyl indazole immunomodulators for treating autoimmune diseases 洛克菲勒大学 2022-03-01 CN disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
US-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2019-07-04 US disclosed
EP-3463341-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2019-04-10 EP disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 WO disclosed
WO-2017205296-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2017-11-30 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 (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-20190202811-A1 AMINOACYLINDAZOLE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI2, IL4I1, TFPI MMP2 1373/4885MAPKAPK2 1498/4885MMP1 2020/4885

“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.