SCHEMBL20299758

SCHEMBL20299758

CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)C(=O)OCc2ccccc2)CC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PARP1 P09874 1/20 0.40
KLK7 P49862 1/20 0.40
CCR5 P51681 3/20 0.40
AGTR2 P50052 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CETP P11597 1/20 0.39
HTR2A P28223 3/20 0.38
GPR119 Q8TDV5 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL20299696 0.87 CHRM2 (0.42) HSD11B1CCR5AGTR2PTGDR2HTR2A
SCHEMBL24358362 0.86 JAK2 (0.40) HSD11B1JAK2JAK1PARP1KLK7
SCHEMBL22602153 0.86 JAK2 (0.40) HSD11B1JAK2JAK1PARP1KLK7
SCHEMBL15629122 0.83 JAK2 (0.48) HSD11B1JAK2JAK1KLK7AGTR2
SCHEMBL11045918 0.83 HSD11B1 (0.51) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL11045920 0.83 HSD11B1 (0.51) HSD11B1JAK2JAK1AGTR2CETP
SCHEMBL19990693 0.82 L3MBTL1 (0.43) HSD11B1JAK2JAK1KLK7AGTR2
SCHEMBL2820222 0.82 HSD11B1 (0.45) HSD11B1JAK2JAK1KLK7AGTR2
SCHEMBL13841899 0.82 HSD11B1 (0.45) HSD11B1JAK2JAK1KLK7AGTR2
SCHEMBL15629108 0.81 FKBP1A (0.46) HSD11B1JAK2JAK1PARP1KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP disclosed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 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-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS HSD11B1 3063/4885JAK2 2386/4885JAK1 2024/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS HSD11B1 3063/4885JAK2 2386/4885JAK1 2024/4885

“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.