Sugi Predict

Sugi Predict / Compounds / SCHEMBL18394698

SCHEMBL18394698

SCHEMBL18394698

CC(=O)c1ccc(C2COCCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ GPR119 Q8TDV5 2/20 0.46
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ NR1H2 P55055 4/20 0.38
▸ NR1H3 Q13133 4/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ BECN1 Q14457 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL14916072 0.90 CFB (0.42) NPC1GPR119CCNCCDK8SMN1; SMN2
SCHEMBL14829412 0.88 MEN1 (0.45) NPC1GPR119CCNCCDK8SMN1; SMN2
SCHEMBL14829411 0.88 MEN1 (0.45) NPC1GPR119CCNCCDK8SMN1; SMN2
SCHEMBL3398818 0.86 NR1H2 (0.43) NPC1GPR119CCNCCDK8SMN1; SMN2
SCHEMBL21682785 0.86 NR1H2 (0.50) NPC1CCNCCDK8SMN1; SMN2USP2
SCHEMBL21224528 0.86 USP2 (0.41) GPR119CCNCCDK8SMN1; SMN2USP2
SCHEMBL2386023 0.86 NR1H2 (0.43) NPC1GPR119CCNCCDK8SMN1; SMN2
SCHEMBL2386027 0.86 NR1H2 (0.43) NPC1GPR119CCNCCDK8SMN1; SMN2
SCHEMBL14829403 0.86 NR1H2 (0.49) GPR119SMN1; SMN2USP2NR1H2NR1H3
SCHEMBL14829637 0.86 NR1H2 (0.49) GPR119SMN1; SMN2USP2NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 — — US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — 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 (3 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC NPC1 4760/4885GPR119 3272/4885CCNC 832/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO NPC1 4802/4885GPR119 3073/4885CCNC 714/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC NPC1 4760/4885GPR119 3272/4885CCNC 832/4885

“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.