SCHEMBL6942861

SCHEMBL6942861

Cc1ccc(S(=O)(=O)O)cc1C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
DRD2 P14416 5/20 0.43
MAOB P27338 2/20 0.43
KDM1A O60341 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
BTK Q06187 2/20 0.39
CCR5 P51681 1/20 0.39
ACACB O00763 1/20 0.39
KCNA3 P22001 1/20 0.39
EPHX2 P34913 1/20 0.38
DRD3 P35462 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL6942857 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3DRD2
SCHEMBL29062245 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3DRD2
SCHEMBL28851424 0.81 JAK2 (0.44) JAK2JAK1TYK2JAK3DRD2
SCHEMBL29104732 0.81 CA1 (0.41) DRD2CA1CA2CA12CA7
SCHEMBL9099580 0.77 ALDH1A1 (0.38) DRD2CA1CA2CA12CA7
SCHEMBL29077706 0.76 MAOB (0.42) JAK2JAK1TYK2JAK3DRD2
SCHEMBL30421230 0.75 JAK2 (0.43) JAK2JAK1TYK2JAK3DRD2
SCHEMBL28570368 0.75 JAK2 (0.43) JAK2JAK1TYK2JAK3DRD2
SCHEMBL28414964 0.75 OPRL1 (0.46) JAK2JAK1TYK2JAK3DRD2
SCHEMBL30209415 0.75 OPRL1 (0.46) JAK2JAK1TYK2JAK3DRD2

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-6753445-B2 14-O-((CYCLOALKYL-SULFANYL)ACETYL)-, 14-O-((CYCLOALKYL-ALKYL-SULFANYL)ACETYL)-, 14-O-((CYCLOALKOXY)ACETYL)- AND 14-O-((CYCLOALKYL-ALKOXY) ACETYL) MUTILINS; MICROBIOCIDES BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2004-06-22 US disclosed
US-20030162831-A1 Pleuromutilin derivatives having antibacterial activity Nabriva Therapeutics GmbH (AT) 2003-08-28 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-20030162831-A1 Pleuromutilin derivatives having antibacterial activity MLN, PLEC, ST14 JAK2 3284/4885JAK1 4579/4885TYK2 4010/4885

“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.