SCHEMBL17440239

SCHEMBL17440239

CC(C)(C)N(C(=O)O)C1CCC(CCC#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
DPP4 P27487 2/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
FNTA P49354 2/20 0.30
FNTB P49356 2/20 0.30

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
SCHEMBL17440237 1.00 HSD11B1 (0.48) HSD11B1DPP4CTSSCTSKJAK2
SCHEMBL17440255 0.86 HSD11B1 (0.47) HSD11B1DPP4CTSSCTSK
SCHEMBL17440259 0.86 HSD11B1 (0.47) HSD11B1DPP4CTSSCTSK
SCHEMBL705608 0.80 KDM5A (0.32) HSD11B1
SCHEMBL705607 0.80 KDM5A (0.32) HSD11B1
SCHEMBL527479 0.79 DPP4 (0.30) DPP4
SCHEMBL2167294 0.79 KDM5A (0.31) HSD11B1
SCHEMBL4877014 0.79 HSD11B1 (0.33) HSD11B1
SCHEMBL16337286 0.79 HSD11B1 (0.33) HSD11B1
SCHEMBL2167298 0.79 KDM5A (0.31) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2016-01-21 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-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 HSD11B1 4376/4885DPP4 857/4885CTSS 3142/4885

“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.