SCHEMBL19643187

SCHEMBL19643187

Nc1[nH]nc2c1C[C@H](NC(=O)OCc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
ACHE P22303 2/20 0.53
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
TLR4 O00206 1/20 0.46
EPHX1 P07099 1/20 0.46
DPP4 P27487 4/20 0.43
DPP7 Q9UHL4 4/20 0.43
KCNH2 Q12809 2/20 0.43
CPB1 P15086 1/20 0.42
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL19642779 1.00 CA1 (0.53) CA1CA2ACHETSHRALDH1A1
SCHEMBL19642834 1.00 CA1 (0.53) CA1CA2ACHETSHRALDH1A1
SCHEMBL28279773 0.92 CA1 (0.43) CA1CA2ACHETSHRALDH1A1
SCHEMBL13213518 0.78 CA1 (0.54) CA1CA2ACHETSHRALDH1A1
SCHEMBL19656881 0.78 CA1 (0.49) CA1CA2ACHETSHRALDH1A1
SCHEMBL20722738 0.76 CA1 (0.54) CA1CA2ACHETSHRALDH1A1
SCHEMBL758357 0.75 ALDH1A1 (0.63) CA1CA2ACHETSHRALDH1A1
SCHEMBL29248505 0.75 ALDH1A1 (0.63) CA1CA2ACHETSHRALDH1A1
SCHEMBL5659952 0.75 CA1 (0.61) CA1CA2ACHETSHRALDH1A1
SCHEMBL21855497 0.74 CA1 (0.63) CA1CA2ACHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 3598/4885CA2 2527/4885ACHE 3686/4885

“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.