SCHEMBL10154033

SCHEMBL10154033

CNS(=O)(=O)CC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.39
TYK2 P29597 11/20 0.39
JAK2 O60674 7/20 0.37
JAK3 P52333 7/20 0.37
ACLY P53396 2/20 0.35
SIGMAR1 Q99720 1/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL10154003 0.98 JAK1 (0.38) JAK1TYK2JAK2JAK3ACLY
SCHEMBL1513041 0.90
SCHEMBL17103485 0.80 JAK1 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL17103507 0.80 JAK1 (0.46) JAK1TYK2JAK2JAK3CA12
SCHEMBL17103618 0.80 JAK1 (0.40) JAK1TYK2JAK2JAK3
SCHEMBL17103487 0.80 JAK1 (0.43) JAK1TYK2JAK2JAK3
SCHEMBL17103619 0.80 JAK1 (0.40) JAK1TYK2JAK2JAK3
SCHEMBL17103509 0.80 JAK1 (0.46) JAK1TYK2JAK2JAK3CA12
SCHEMBL22674511 0.80 JAK1 (0.40) JAK1TYK2JAK2JAK3
Hydrochloric Acid SCHEMBL17103433 0.79 JAK1 (0.45) JAK1TYK2JAK2JAK3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195599-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2021-09-30 WO disclosed
EP-2772480-B2 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2020-12-09 EP disclosed
EP-2772480-B1 HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2018-05-23 EP disclosed
US-9199959-B2 HIV replication inhibitor SHIONOGI & CO., LTD. (JP) 2015-12-01 US disclosed
US-20140249306-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2014-09-04 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA JAK1 56/4885TYK2 72/4885JAK2 26/4885
US-20140249306-A1 HIV REPLICATION INHIBITOR SSU72, RTF2, ZC3HAV1 JAK1 2793/4885TYK2 1450/4885JAK2 3500/4885

“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.