SCHEMBL16477302

SCHEMBL16477302

CC(C)[C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](O)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.45
JAK2 O60674 11/20 0.45
JAK1 P23458 11/20 0.45
TSHR P16473 1/20 0.36
AKR1C3 P42330 2/20 0.36
HCRTR2 O43614 2/20 0.35
HSD11B1 P28845 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
SCHEMBL18419742 1.00 JAK3 (0.45) JAK3JAK2JAK1TSHRAKR1C3
SCHEMBL18419741 0.87 JAK2 (0.49) JAK3JAK2JAK1TSHRAKR1C3
SCHEMBL16480067 0.84 JAK2 (0.47) JAK3JAK2JAK1AKR1C3
SCHEMBL15795513 0.81 JAK2 (0.47) JAK3JAK2JAK1AKR1C3
SCHEMBL15794944 0.81 JAK2 (0.47) JAK3JAK2JAK1AKR1C3
Hydrochloric Acid SCHEMBL14060754 0.80 JAK2 (0.47) JAK3JAK2JAK1AKR1C3
Hydrochloric Acid SCHEMBL14060755 0.80 JAK2 (0.47) JAK3JAK2JAK1AKR1C3
SCHEMBL6918629 0.77 TSHR (0.44) TSHRAKR1C3
SCHEMBL20232740 0.71 KMT2A (0.40) TSHR
SCHEMBL19028331 0.71 MEN1 (0.44) TSHRAKR1C3HSD11B1

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-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 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 (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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 JAK3 3/4885JAK2 1/4885JAK1 2/4885

“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.