SCHEMBL17453585

SCHEMBL17453585

CC(C)(C)OC(=O)NCC1CCC(Nc2c([N+](=O)[O-])cnc3ccsc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.40
ACACB O00763 10/20 0.39
ACACA Q13085 7/20 0.39
PBK Q96KB5 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ADORA2A P29274 1/20 0.38
DRD2 P14416 3/20 0.37
NEK1 Q96PY6 1/20 0.35

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
SCHEMBL30642239 1.00 SPR (0.40) SPRACACBACACAPBKCKS1B
SCHEMBL30642293 0.88 DRD2 (0.40) CKS1BSKP1SKP2ADORA2ADRD2
SCHEMBL15656652 0.86 ATG4B (0.39)
SCHEMBL15656650 0.86 ATG4B (0.39)
SCHEMBL15656655 0.86 ATG4B (0.39)
SCHEMBL30642256 0.86 SPR (0.42) SPRACACBACACAPBKCKS1B
SCHEMBL17453589 0.86 SPR (0.42) SPRACACBACACAPBKCKS1B
SCHEMBL15655746 0.81 ALDH1A1 (0.45) ADORA2A
SCHEMBL15654793 0.81 IRAK4 (0.36)
SCHEMBL15654791 0.81 IRAK4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908895-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2016-01-28 US 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-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 SPR 2038/4885ACACB 3152/4885ACACA 3104/4885

“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.