Sugi Predict

Sugi Predict / Compounds / SCHEMBL304546

SCHEMBL304546

SCHEMBL304546

CC(C)(C)OC(=O)NNC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ HTT P42858 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ GRIN2B Q13224 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ STS P08842 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NTSR1 P30989 1/20 0.48
▸ CCR8 P51685 1/20 0.48

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
SCHEMBL17157135 0.93 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL951538 0.91 KMT2A (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1652106 0.91 STS (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL26602429 0.87 USP30 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2855372 0.87 KDM4E (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL15669949 0.87 USP30 (0.53) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1971844 0.86 HSD11B1 (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL953899 0.86 HSD11B1 (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL12168188 0.86 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1775260 0.86 HSD11B1 (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 — — US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 — — EP disclosed
CN-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 — — CN disclosed
CN-114478528-A Aroyl-substituted tricyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2022-05-13 — — CN disclosed
CN-112812100-B Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2022-04-05 — — CN disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 — — WO disclosed
CN-112812100-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-05-18 — — CN disclosed
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2021-01-07 — — US disclosed
US-10815213-B2 Bruton's tyrosine kinase inhibitors PFIZER INC. (US) 2020-10-27 — — US disclosed
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors PFIZER INC. (US) 2019-07-04 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 — — US disclosed
EP-1748985-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS Takeda Pharmaceutical Company Limited (JP) 2007-02-07 — — EP disclosed
EP-1720874-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES Bioaxone Therapeutique Inc. (CA) 2006-11-15 — — EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 — — US disclosed
WO-2005113504-A1 CYCLIC AMIDE DERIVATIVES, AND THEIR PRODUCTION AND USE AS ANTITHROMBOTIC AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-01 — — WO disclosed
WO-2005080394-A1 4-SUBSTITUTED PIPERIDINE DERIVATIVES BIOAXONE THERAPEUTIQUE INC. (CA) 2005-09-01 — — WO disclosed
CN-1150192-C Piperidines as CCR5 modulators — 2004-05-19 — — CN disclosed
CN-1331691-A Piperidines as CCR5 modulators PFIZER LTD (US) 2002-01-16 — — CN 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 (5 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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 SMN1; SMN2 3049/4885NPC1 2739/4885RAB9A 960/4885
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 SMN1; SMN2 1278/4885NPC1 1832/4885RAB9A 883/4885
US-10815213-B2 Bruton's tyrosine kinase inhibitors BTK, LCK, LYN SMN1; SMN2 4291/4885NPC1 4497/4885RAB9A 2430/4885
US-20210002251-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, LYN SMN1; SMN2 4291/4885NPC1 4497/4885RAB9A 2430/4885
US-20190202798-A1 Bruton's Tyrosine Kinase Inhibitors BTK, LCK, SYK SMN1; SMN2 4271/4885NPC1 4522/4885RAB9A 2486/4885

“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.