SCHEMBL17844334

SCHEMBL17844334

CC(C)(C)OC(=O)N(N)I

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
DGAT1 O75907 1/20 0.34
CA14 Q9ULX7 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
SCHEMBL432112 0.82 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
Hydrochloric Acid SCHEMBL5679482 0.80 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL1706932 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL1771686 0.79 HDAC6 (0.38) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL28097176 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL13286079 0.77 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL29180397 0.76 DGAT1 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL8737769 0.76 HDAC6 (0.39) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL10023648 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL2028779 0.75 HDAC6 (0.36) HDAC6HDAC1HDAC2DGAT1CA14

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-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE SARL (LU) 2019-07-04 US disclosed
EP-3233849-A1 HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. Hoffmann-La Roche AG (CH) 2017-10-25 EP disclosed
WO-2016096936-A1 HETEROARYLALKYLENE ARYL SULTAM DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-06-23 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-20190202823-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 HDAC6 956/4885HDAC1 2489/4885HDAC2 2033/4885

“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.