SCHEMBL16611357

SCHEMBL16611357

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RORC P51449 8/20 0.43
GPR119 Q8TDV5 5/20 0.42
STS P08842 2/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL16874571 0.87 ALDH1A1 (0.55) GPR119STSALDH1A1
SCHEMBL16874573 0.87 ALDH1A1 (0.55) GPR119STSALDH1A1
SCHEMBL16611368 0.84 RORC (0.43) RORCGPR119STS
SCHEMBL23538696 0.83 ALDH1A1 (0.44) RORCGPR119STSALDH1A1
SCHEMBL35211565 0.83 STS (0.52) RORCGPR119STS
SCHEMBL30726423 0.83 RORC (0.55) RORCGPR119STS
SCHEMBL23291509 0.83 RORC (0.55) RORCGPR119STS
SCHEMBL19103505 0.83 NAMPT (0.53) CA12CA1CA2CA9GPR119
SCHEMBL16874565 0.82 YAP1 (0.52) RORCGPR119STS
SCHEMBL31702241 0.81 PTPN2 (0.47) CA12CA1CA2CA9RORC

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-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 CA12 2039/4885CA1 2704/4885CA2 1618/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CA12 2039/4885CA1 2704/4885CA2 1618/4885

“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.