SCHEMBL16611414

SCHEMBL16611414

CC(C)(C)OC(=O)N1CCC(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(F)(F)C1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.51
RORC P51449 12/20 0.40
STS P08842 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
AAK1 Q2M2I8 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
SCHEMBL180435 0.83 USP30 (0.56) USP30STSGPR119
SCHEMBL16611368 0.82 RORC (0.43) RORCSTSGPR119
SCHEMBL30726423 0.82 RORC (0.55) RORCSTSGPR119
SCHEMBL35211565 0.82 STS (0.52) RORCSTSGPR119
SCHEMBL23538696 0.82 ALDH1A1 (0.44) RORCSTSGPR119
SCHEMBL23291509 0.82 RORC (0.55) RORCSTSGPR119
SCHEMBL16936643 0.81 USP30 (0.59) USP30GPR119
SCHEMBL16874571 0.81 ALDH1A1 (0.55) STSGPR119
SCHEMBL16874573 0.81 ALDH1A1 (0.55) STSGPR119
SCHEMBL23538342 0.80 ALDH1A1 (0.54) RORCSTSGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814351-A1 COMPOUNDS F. Hoffmann-La Roche AG (CH) 2021-05-05 EP disclosed
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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 (2 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 USP30 570/4885RORC 538/4885STS 1122/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 USP30 570/4885RORC 538/4885STS 1122/4885

“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.