SCHEMBL19805202

SCHEMBL19805202

CC(C)(C)OC(=O)N1CCN(c2nc(Cl)nc3c2sc2nc(N4CCOCC4)ccc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.43
▸ PIK3CA P42336 4/20 0.42
▸ PIK3CD O00329 5/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ CKS1B P61024 2/20 0.38
▸ SKP1 P63208 2/20 0.38
▸ SKP2 Q13309 2/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL19805200 0.88 MAP4K4 (0.42) MAP4K4PIK3CAPIK3CDGBA1CKS1B
SCHEMBL19805196 0.87 PIK3CA (0.50) MAP4K4PIK3CAPIK3CDCKS1BSKP1
SCHEMBL20467157 0.87 MAP4K4 (0.44) MAP4K4PIK3CAPIK3CDGBA1CKS1B
SCHEMBL19805091 0.82 GBA1 (0.47) GBA1CKS1BSKP1SKP2CNR1
SCHEMBL19805095 0.81 DTYMK (0.49) PIK3CAGBA1CKS1BSKP1SKP2
SCHEMBL19805182 0.79 HTR2C (0.44) PIK3CAPIK3CDPIK3CG
SCHEMBL24851269 0.76 USP2 (0.54) MAP4K4PIK3CAPIK3CDCKS1BSKP1
SCHEMBL190335 0.76 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL19805201 0.75 ALOX15 (0.41) PIK3CAPIK3CDPIK3CGSMN1; SMN2CNR2
SCHEMBL190122 0.74 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CGATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-05-24 — — US disclosed
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-10-31 — — US disclosed
WO-2018017874-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-01-25 — — 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-11339178-B2 Inhibitors of microbial beta-glucuronidase enzymes and uses thereof GUSB, ENGASE, MGAM MAP4K4 4249/4885PIK3CA 1949/4885PIK3CD 2262/4885
US-20190330237-A1 INHIBITORS OF MICROBIAL BETA-GLUCURONIDASE ENZYMES AND USES THEREOF GUSB, ENGASE, MGAM MAP4K4 4249/4885PIK3CA 1949/4885PIK3CD 2262/4885

“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.

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